Geometry & MOs

Info

ID:	328301
PubChem CID:	126700637
Reduced:	FSN5O5H36C37 (1)
Stoich.:	ABC5D5E36F37 (1)
Weight, g/mol:	372.103397
ΔH_f, kcal/mol:	-107.99
Dipole, Da:	8.42
IP(EA), eV:	-8.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4,7-difluoro-1,3-benzoxazol-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-ol

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

C[C@@H](C(=O)N)OC1=CC2=C3C(=C1)OCCCCN3C(=N2)C4=CC(=C5C(=C4)SC(=N5)N(CC6=CC=C(C=C6)OC)CC7=CC=C(C=C7)OC)F

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

C[C@@H](C(=O)N)OC1=CC2=C3C(=C1)OCCCCN3C(=N2)C4=CC(=C5C(=C4)SC(=N5)N(CC6=CC=C(C=C6)OC)CC7=CC=C(C=C7)OC)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):