Geometry & MOs

Info

ID:	217567
PubChem CID:	85088009
Reduced:	N4O6C17H20 (1)
Stoich.:	A4B6C17D20 (1)
Weight, g/mol:	382.109962
ΔH_f, kcal/mol:	-121.63
Dipole, Da:	9.55
IP(EA), eV:	-9.7(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-nitrophenyl)-5-phenyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCNC(=O)OC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C(=O)N(CC)CC

DOS

IR

Vibrations