Geometry & MOs

Info

ID:	193090
PubChem CID:	78341121
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-132.31
Dipole, Da:	9.26
IP(EA), eV:	-8.7(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCC3C(C2)NC(=S)N(C3=O)CC4CCCO4)C

DOS

IR

Vibrations