Geometry & MOs

Info

ID:	193204
PubChem CID:	78356164
Reduced:	O3C14H15 (2)
Stoich.:	A3B14C15 (2)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-202.4
Dipole, Da:	2.33
IP(EA), eV:	-8.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-4aH-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCCC1CC2C(CC1OC(=O)C3=CC=CC=C3)OC=C(C2=O)C4=CC5=C(C=C4)OCCCO5

DOS

IR

Vibrations