Geometry & MOs

Info

ID:	135163
PubChem CID:	51827163
Reduced:	ClNOC13H17 (2)
Stoich.:	ABCD13E17 (2)
Weight, g/mol:	534.205213
ΔH_f, kcal/mol:	-88.02
Dipole, Da:	4.66
IP(EA), eV:	-9.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[tert-butyl-[2-(2,3-dichlorophenyl)acetyl]amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]([C@H](C)C1=CC=CC=C1)N(C(=O)CC2=C(C(=CC=C2)Cl)Cl)C(C)(C)C

DOS

IR

Vibrations