Geometry & MOs

Info

ID:	138327
PubChem CID:	52348602
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	377.115775
ΔH_f, kcal/mol:	-102.64
Dipole, Da:	5.15
IP(EA), eV:	-8.2(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[(1-methylpyrazol-3-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)[C@H]2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations