Geometry & MOs

Info

ID:	155664
PubChem CID:	56366744
Reduced:	N2S2O4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-73.0
Dipole, Da:	9.23
IP(EA), eV:	-8.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-5-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)C(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations