Geometry & MOs

Info

ID:	401148
PubChem CID:	135050342
Reduced:	NSO3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	405.139865
ΔH_f, kcal/mol:	-78.34
Dipole, Da:	3.63
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N1C[C@H]([C@@H](C1)S(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations