Geometry & MOs

Info

ID:	164779
PubChem CID:	74451415
Reduced:	SO3N4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-63.12
Dipole, Da:	6.38
IP(EA), eV:	-9.0(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-amino-2-(2,4-dimethoxyphenyl)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepine-6,12-dione

Drug info:

PubChemData

Smile

CSC1NC(CC(=O)N1)COC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations