Geometry & MOs

Info

ID:	218249
PubChem CID:	85089087
Reduced:	N2O4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	442.192629
ΔH_f, kcal/mol:	-67.03
Dipole, Da:	3.24
IP(EA), eV:	-9.2(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C(=O)N1C2(C3=CC=CC=C3C(O1)(C4=CC=CC=C42)C)C)NC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations