Geometry & MOs

Info

ID:	156616
PubChem CID:	56371359
Reduced:	SN4O4C25H32 (1)
Stoich.:	AB4C4D25E32 (1)
Weight, g/mol:	414.208947
ΔH_f, kcal/mol:	-134.31
Dipole, Da:	5.61
IP(EA), eV:	-8.13(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations