Geometry & MOs

Info

ID:	166979
PubChem CID:	74760949
Reduced:	ClO3N4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-65.45
Dipole, Da:	5.33
IP(EA), eV:	-9.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C(C(=O)NC2=O)N(CC3=CC=CC=C3)C(=O)CCC4=CC=C(C=C4)Cl)N

DOS

IR

Vibrations