Geometry & MOs

Info

ID:	244334
PubChem CID:	99344086
Reduced:	SO3N5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-16.66
Dipole, Da:	3.37
IP(EA), eV:	-8.7(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]amino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1=CN(N=C1)CC2=CC=NC=C2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations