Geometry & MOs

Info

ID:	135180
PubChem CID:	51830553
Reduced:	SN2O6C22H28 (1)
Stoich.:	AB2C6D22E28 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-225.93
Dipole, Da:	7.33
IP(EA), eV:	-9.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[tert-butyl-(2-hydroxyacetyl)amino]-N-cyclohexyl-2-(2-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@H](C2=CC=CC=C2O)N(C(=O)CO)C(C)(C)C

DOS

IR

Vibrations