Geometry & MOs

Info

ID:	166956
PubChem CID:	74758352
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	403.192963
ΔH_f, kcal/mol:	-112.68
Dipole, Da:	9.71
IP(EA), eV:	-8.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2CCC(CC2NC1=S)C(=O)NCCCOCC3=CC=CC=C3

DOS

IR

Vibrations