Geometry & MOs

Info

ID:	236110
PubChem CID:	92711618
Reduced:	SN2O2C24H26 (1)
Stoich.:	AB2C2D24E26 (1)
Weight, g/mol:	406.171499
ΔH_f, kcal/mol:	-23.71
Dipole, Da:	5.22
IP(EA), eV:	-8.42(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC)C

DOS

IR

Vibrations