Geometry & MOs

Info

ID:	134976
PubChem CID:	51791732
Reduced:	ClN3O4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	531.22887
ΔH_f, kcal/mol:	-120.51
Dipole, Da:	3.13
IP(EA), eV:	-9.43(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chloro-N-[(1R)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]anilino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC(=CC=C1)O)N(C2=CC=CC=C2Cl)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations