Geometry & MOs

Info

ID:	135151
PubChem CID:	51824988
Reduced:	N2O2Cl3C23H27 (1)
Stoich.:	A2B2C3D23E27 (1)
Weight, g/mol:	494.129461
ΔH_f, kcal/mol:	-92.24
Dipole, Da:	4.69
IP(EA), eV:	-9.29(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-chloro-N-[(1S)-2-(cyclohexylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations