Geometry & MOs

Info

ID:	291362
PubChem CID:	112027884
Reduced:	SN4O4C19H32 (1)
Stoich.:	AB4C4D19E32 (1)
Weight, g/mol:	404.260983
ΔH_f, kcal/mol:	-143.45
Dipole, Da:	4.47
IP(EA), eV:	-8.28(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N'-(2-methyl-3-morpholin-4-ylpropyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)NC(=NC)NCC(C)OC2=CC=C(C=C2)OC

DOS

IR

Vibrations