Geometry & MOs

Info

ID:	54689
PubChem CID:	17389106
Reduced:	SO4N5H15C22 (1)
Stoich.:	AB4C5D15E22 (1)
Weight, g/mol:	447.125277
ΔH_f, kcal/mol:	-58.47
Dipole, Da:	5.04
IP(EA), eV:	-8.48(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-3-nitro-4a,5,6,7,8,8a-hexahydrochromen-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)NC4=CC(=C(C=C4)O)C(=O)O)N)N)C#N

DOS

IR

Vibrations