Geometry & MOs

Info

ID:	135124
PubChem CID:	51817585
Reduced:	N3O5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-108.33
Dipole, Da:	2.07
IP(EA), eV:	-9.09(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-N-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-2-[propanoyl(propyl)amino]butanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC(=CC=C1)OC)N(CCC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations