Geometry & MOs

Info

ID:	134783
PubChem CID:	51754990
Reduced:	N2O4C31H46 (1)
Stoich.:	A2B4C31D46 (1)
Weight, g/mol:	458.350843
ΔH_f, kcal/mol:	-185.4
Dipole, Da:	1.63
IP(EA), eV:	-9.07(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2S)-2-[hexyl-[(2S)-2-methoxy-2-phenylacetyl]amino]-N-(2,4,4-trimethylpentan-2-yl)pent-3-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations