Geometry & MOs

Info

ID:	328968
PubChem CID:	126729711
Reduced:	O3N7C24H27 (1)
Stoich.:	A3B7C24D27 (1)
Weight, g/mol:	477.212452
ΔH_f, kcal/mol:	20.94
Dipole, Da:	5.39
IP(EA), eV:	-8.47(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-3-[(2S,4S)-2-ethyloxan-4-yl]-12-(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1,6,9,12-tetraene-4,11-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@H]1C[C@H](CCO1)N2C3=C(C(=NC2=O)/C(=C/N)/C=NC)OC4=CN=C(C=C43)C5=CN(N=C5)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@H]1C[C@H](CCO1)N2C3=C(C(=NC2=O)/C(=C/N)/C=NC)OC4=CN=C(C=C43)C5=CN(N=C5)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):