Geometry & MOs

Info

ID:	243602
PubChem CID:	99233312
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-188.35
Dipole, Da:	9.81
IP(EA), eV:	-9.31(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-phenyl-N-[4-[(2R)-2-propan-2-ylpyrrolidine-1-carbonyl]phenyl]ethenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CCCN1C(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations