Geometry & MOs

Info

ID:	133482
PubChem CID:	51533862
Reduced:	SN2O2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	97.052764
ΔH_f, kcal/mol:	-17.75
Dipole, Da:	6.82
IP(EA), eV:	-8.95(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NC(=O)[C@@H](C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations