Geometry & MOs

Info

ID:	238329
PubChem CID:	92730007
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	497.234828
ΔH_f, kcal/mol:	-151.97
Dipole, Da:	7.27
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-methylbutyl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCC[C@@H]3C(=O)NCCC(C)C

DOS

IR

Vibrations