Geometry & MOs

Info

ID:	135045
PubChem CID:	51804056
Reduced:	N2O3C28H38 (1)
Stoich.:	A2B3C28D38 (1)
Weight, g/mol:	502.250144
ΔH_f, kcal/mol:	-115.4
Dipole, Da:	7.12
IP(EA), eV:	-9.28(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-2-methoxy-2-phenylacetyl]-propylamino]-N-[(4-methylphenyl)sulfonylmethyl]heptanamide

Drug info:

PubChemData

Smile

CCCN([C@@H]([C@@H](C)C1=CC=CC=C1)C(=O)NC2CCCCC2)C(=O)[C@H](C3=CC=CC=C3)OC

DOS

IR

Vibrations