Geometry & MOs

Info

ID:	173657
PubChem CID:	75666928
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-78.03
Dipole, Da:	7.61
IP(EA), eV:	-8.68(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2CCC(CC2NC1=S)C(=O)N(C)C(C)C3=CC=CC=C3

DOS

IR

Vibrations