Geometry & MOs

Info

ID:	135430
PubChem CID:	51870216
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	423.219178
ΔH_f, kcal/mol:	-190.85
Dipole, Da:	3.48
IP(EA), eV:	-8.7(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(2S)-4-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@H]2CCCN2C(=O)OC(C)(C)C

DOS

IR

Vibrations