Geometry & MOs

Info

ID:	351047
PubChem CID:	127279484
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	395.199111
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	5.76
IP(EA), eV:	-8.36(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)COC2=CC=CC=C2NC(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations