Geometry & MOs

Info

ID:	134930
PubChem CID:	51784570
Reduced:	ClN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	496.285656
ΔH_f, kcal/mol:	-134.43
Dipole, Da:	3.62
IP(EA), eV:	-9.02(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-2-(2-chloro-N-[2-(2-methylphenyl)acetyl]anilino)-N-(2,4,4-trimethylpentan-2-yl)hept-3-enamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N(C1=CC=CC=C1Cl)[C@@H](C2=CC=C(C=C2)O)C(=O)NC(C)(C)C

DOS

IR

Vibrations