Geometry & MOs

Info

ID:	194107
PubChem CID:	78484063
Reduced:	SO2N3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	388.205873
ΔH_f, kcal/mol:	-18.56
Dipole, Da:	11.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.085460
Charge, e:	1

Chem-info

IUPAC name:

N-(cyclohex-3-en-1-ylmethyl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

C[NH+]1CCC(CC1)N(CC2CCCO2)C(=O)C3=CC4=C(N3C)C=CS4

DOS

IR

Vibrations