Geometry & MOs

Info

ID:	25555
PubChem CID:	626344
Reduced:	SN2O2H10C16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	295.095691
ΔH_f, kcal/mol:	57.32
Dipole, Da:	5.57
IP(EA), eV:	-8.93(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CSC(=N2)C(=CC3=CC=CO3)C#N)O

DOS

IR

Vibrations