Geometry & MOs

Info

ID:	401106
PubChem CID:	135050153
Reduced:	NSiO4C22H35 (1)
Stoich.:	ABC4D22E35 (1)
Weight, g/mol:	371.155515
ΔH_f, kcal/mol:	-229.47
Dipole, Da:	2.92
IP(EA), eV:	-8.69(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-4-(benzenesulfonyl)-1-butylpyrrolidin-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCC(C1C(=O)OCC)N(CC2=CC=CC=C2)[Si](C)(C)C

DOS

IR

Vibrations