Geometry & MOs

Info

ID:	135097
PubChem CID:	51813696
Reduced:	SN3O4C25H35 (1)
Stoich.:	AB3C4D25E35 (1)
Weight, g/mol:	473.234828
ΔH_f, kcal/mol:	-147.9
Dipole, Da:	10.25
IP(EA), eV:	-8.36(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[4-(dimethylamino)phenyl]-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-N-propylbutanamide

Drug info:

PubChemData

Smile

CCCC(=O)N(CCC)[C@@H](C1=CC=C(C=C1)N(C)C)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations