Geometry & MOs

Info

ID:	185512
PubChem CID:	77308838
Reduced:	SN3O3C10H15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	448.110267
ΔH_f, kcal/mol:	-97.96
Dipole, Da:	5.68
IP(EA), eV:	-9.43(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-aminoethyl)-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CC(C1NC(=O)O)O)CC2=CSC=N2

DOS

IR

Vibrations