Geometry & MOs

Info

ID:	134638
PubChem CID:	51732755
Reduced:	ClN2O2C32H45 (1)
Stoich.:	AB2C2D32E45 (1)
Weight, g/mol:	484.249271
ΔH_f, kcal/mol:	-111.97
Dipole, Da:	3.19
IP(EA), eV:	-9.17(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-chlorophenyl)-N-[(1S)-2-(cyclohexylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-2-ethylhexanamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C(=O)N(C1=CC(=CC=C1)Cl)[C@H](C2=C(C=C(C=C2)C)C)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations