Geometry & MOs

Info

ID:	445191
PubChem CID:	135264835
Reduced:	SN3O7C25H27 (1)
Stoich.:	AB3C7D25E27 (1)
Weight, g/mol:	513.136985
ΔH_f, kcal/mol:	-210.12
Dipole, Da:	6.8
IP(EA), eV:	-8.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-methyl-4-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)NC(N[C@@H](CC2=CC=C(C=C2)O)C(=O)N(C)C3=CC4=C(C=C3)OCO4)O

DOS

IR

Vibrations