Geometry & MOs

Info

ID:	135086
PubChem CID:	51811526
Reduced:	NOC9H13 (3)
Stoich.:	ABC9D13 (3)
Weight, g/mol:	491.191249
ΔH_f, kcal/mol:	-124.91
Dipole, Da:	3.64
IP(EA), eV:	-8.19(0.26)
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-propyl-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCN([C@H](C1=CC=C(C=C1)N(C)C)C(=O)NC(C)(C)C)C(=O)CCC2=CC=C(C=C2)OC

DOS

IR

Vibrations