Geometry & MOs

Info

ID:	304949
PubChem CID:	124766350
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	545.252586
ΔH_f, kcal/mol:	-13.79
Dipole, Da:	4.35
IP(EA), eV:	-9.26(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R,6R,7R)-3-(3-acetylphenyl)-2-N-tert-butyl-6-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

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

CC1=C(C(=CC=C1)C)NC(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C(=O)NCC4=CC=CC=N4)C=C3

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

CC1=C(C(=CC=C1)C)NC(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C(=O)NCC4=CC=CC=N4)C=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):