Geometry & MOs

Info

ID:	175359
PubChem CID:	75887604
Reduced:	S2N3O4C22H29 (1)
Stoich.:	A2B3C4D22E29 (1)
Weight, g/mol:	473.234828
ΔH_f, kcal/mol:	-143.6
Dipole, Da:	4.46
IP(EA), eV:	-9.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]pentanamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations