Geometry & MOs

Info

ID:	141330
PubChem CID:	52861831
Reduced:	O4N5C21H38 (1)
Stoich.:	A4B5C21D38 (1)
Weight, g/mol:	438.230077
ΔH_f, kcal/mol:	-160.97
Dipole, Da:	4.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.821760
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]piperidin-3-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC[C@H]1CCC[NH+](C1)CC2=NC(=NO2)C(C)(C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations