Geometry & MOs

Info

ID:	55798
PubChem CID:	17396563
Reduced:	SN2O4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-124.05
Dipole, Da:	3.62
IP(EA), eV:	-8.8(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCNC1=O)OC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations