Geometry & MOs

Info

ID:	177953
PubChem CID:	76257982
Reduced:	ON4C24H32 (1)
Stoich.:	AB4C24D32 (1)
Weight, g/mol:	464.188212
ΔH_f, kcal/mol:	7.57
Dipole, Da:	2.26
IP(EA), eV:	-8.71(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-[6-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)hexanoylamino]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1CC2=CC=CC=C2CNC(=O)C3CNNC3C4=CC=CC=C4

DOS

IR

Vibrations