Geometry & MOs

Info

ID:	183034
PubChem CID:	76971072
Reduced:	NSO2C3H6 (4)
Stoich.:	ABC2D3E6 (4)
Weight, g/mol:	450.205576
ΔH_f, kcal/mol:	-352.15
Dipole, Da:	7.91
IP(EA), eV:	-9.27(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide

Drug info:

PubChemData

Smile

C([C@H](C(=O)O)N)SSC[C@H](C(=O)O)N.C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N

DOS

IR

Vibrations