Geometry & MOs

Info

ID:	60417
PubChem CID:	26685118
Reduced:	ClO3N5H16C17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	349.140831
ΔH_f, kcal/mol:	-90.14
Dipole, Da:	7.57
IP(EA), eV:	-8.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-3-methylbutan-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

C1=CC(=CC=C1[C@H](CC(=O)NC2=CC3=C(C=C2)NC(=O)N3)NC(=O)N)Cl

DOS

IR

Vibrations