Geometry & MOs

Info

ID:	135039
PubChem CID:	51802546
Reduced:	N2O2C29H40 (1)
Stoich.:	A2B2C29D40 (1)
Weight, g/mol:	448.308979
ΔH_f, kcal/mol:	-79.81
Dipole, Da:	6.37
IP(EA), eV:	-9.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-tert-butyl-2-[[(E)-2,3-diphenylprop-2-enoyl]-propylamino]-3-ethylpentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations