Geometry & MOs

Info

ID:	137662
PubChem CID:	52242447
Reduced:	NSCl2O2C9H11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	4.05
IP(EA), eV:	-9.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]butanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)Cl)Cl)NS(=O)(=O)C

DOS

IR

Vibrations