Geometry & MOs

Info

ID:	65110
PubChem CID:	29204483
Reduced:	SN3O5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	461.198442
ΔH_f, kcal/mol:	-168.82
Dipole, Da:	6.77
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-(diethylsulfamoyl)phenyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)[C@H](C(C)C)NC(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations