Geometry & MOs

Info

ID:	135191
PubChem CID:	51832345
Reduced:	SCl2N2O5C23H28 (1)
Stoich.:	AB2C2D5E23F28 (1)
Weight, g/mol:	428.163348
ΔH_f, kcal/mol:	-192.68
Dipole, Da:	4.02
IP(EA), eV:	-9.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[tert-butyl-(2-methoxyacetyl)amino]-N-cyclohexyl-2-(2,6-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@H](C2=C(C=CC=C2Cl)Cl)N(C(=O)COC)C(C)(C)C

DOS

IR

Vibrations