Geometry & MOs

Info

ID:	238334
PubChem CID:	92730014
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	497.234828
ΔH_f, kcal/mol:	-159.46
Dipole, Da:	6.23
IP(EA), eV:	-8.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations