Geometry & MOs

Info

ID:	239825
PubChem CID:	93167078
Reduced:	SN2O4C27H32 (1)
Stoich.:	AB2C4D27E32 (1)
Weight, g/mol:	528.208279
ΔH_f, kcal/mol:	-102.27
Dipole, Da:	2.97
IP(EA), eV:	-8.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC=CO1)CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)C(C)C)C=CS3

DOS

IR

Vibrations