Geometry & MOs

Info

ID:	236126
PubChem CID:	92711690
Reduced:	SN2O4C27H30 (1)
Stoich.:	AB2C4D27E30 (1)
Weight, g/mol:	458.123105
ΔH_f, kcal/mol:	-126.0
Dipole, Da:	6.64
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-N-(3-chloro-4-fluorophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@@H]2C3=CC=C(C=C3)OC)C(=O)NC4=CC=CC=C4C(=O)OCC)C

DOS

IR

Vibrations