Geometry & MOs

Info

ID:	135063
PubChem CID:	51806195
Reduced:	N2O2C27H38 (1)
Stoich.:	A2B2C27D38 (1)
Weight, g/mol:	500.270879
ΔH_f, kcal/mol:	-97.19
Dipole, Da:	2.01
IP(EA), eV:	-8.86(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-ethyl-N-[(4-methylphenyl)sulfonylmethyl]-2-[[(2R)-2-phenylbutanoyl]-propylamino]pentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations