Geometry & MOs

Info

ID:	401147
PubChem CID:	135050341
Reduced:	O3C7H12 (1)
Stoich.:	A3B7C12 (1)
Weight, g/mol:	371.155515
ΔH_f, kcal/mol:	-133.79
Dipole, Da:	4.19
IP(EA), eV:	-9.67(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)C1(OCCO1)C

DOS

IR

Vibrations