Geometry & MOs

Info

ID:	60418
PubChem CID:	26685228
Reduced:	ON2S2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	351.120095
ΔH_f, kcal/mol:	-6.63
Dipole, Da:	3.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.258218
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-1-methoxypropan-2-yl]-2-[(4R)-4-thiophen-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)NC(=O)C[NH+]1CCC2=C([C@@H]1C3=CC=CS3)C=CS2

DOS

IR

Vibrations