Geometry & MOs

Info

ID:	353130
PubChem CID:	127284310
Reduced:	SN3O4C14H17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	383.116732
ΔH_f, kcal/mol:	-110.22
Dipole, Da:	8.71
IP(EA), eV:	-9.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)OC(=C2)C(=O)NCCN3CCCS3(=O)=O

DOS

IR

Vibrations