Geometry & MOs

Info

ID:	134999
PubChem CID:	51795626
Reduced:	ClSN2O5H23C24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	394.202321
ΔH_f, kcal/mol:	-142.14
Dipole, Da:	5.66
IP(EA), eV:	-9.92(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-chloro-N-(2-hydroxyacetyl)anilino)-N-cyclohexylheptanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@@H](C2=CC=CC=C2)N(C3=CC(=CC=C3)Cl)C(=O)CO

DOS

IR

Vibrations