Geometry & MOs

Info

ID:	56613
PubChem CID:	17487188
Reduced:	O2N9C19H29 (1)
Stoich.:	A2B9C19D29 (1)
Weight, g/mol:	430.059946
ΔH_f, kcal/mol:	-35.05
Dipole, Da:	4.97
IP(EA), eV:	-8.93(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=NC(=NC(=N3)N(C)C)N

DOS

IR

Vibrations