Geometry & MOs

Info

ID:	134971
PubChem CID:	51790958
Reduced:	ClNOC13H17 (2)
Stoich.:	ABCD13E17 (2)
Weight, g/mol:	430.202321
ΔH_f, kcal/mol:	-104.23
Dipole, Da:	2.63
IP(EA), eV:	-9.37(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-N-(2-chlorophenyl)hexanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C2=CC=CC=C2Cl)C(=O)CCl

DOS

IR

Vibrations