Geometry & MOs

Info

ID:	134932
PubChem CID:	51785267
Reduced:	ClN2O3C30H39 (1)
Stoich.:	AB2C3D30E39 (1)
Weight, g/mol:	472.249271
ΔH_f, kcal/mol:	-109.15
Dipole, Da:	6.1
IP(EA), eV:	-8.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S)-2-(butylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-chlorophenyl)-2-ethylhexanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=C(C=C1)OC)N(C2=CC=CC=C2Cl)C(=O)[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C

DOS

IR

Vibrations