Geometry & MOs

Info

ID:	340594
PubChem CID:	127262605
Reduced:	SN3O3C7H7 (1)
Stoich.:	AB3C3D7E7 (1)
Weight, g/mol:	241.085127
ΔH_f, kcal/mol:	-9.78
Dipole, Da:	8.04
IP(EA), eV:	-9.41(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-5-(1H-pyrrol-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C2=NON=C12)N

DOS

IR

Vibrations