Geometry & MOs

Info

ID:	236028
PubChem CID:	92711388
Reduced:	OSN2C23H32 (1)
Stoich.:	ABC2D23E32 (1)
Weight, g/mol:	450.197714
ΔH_f, kcal/mol:	-39.67
Dipole, Da:	2.67
IP(EA), eV:	-8.75(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-2-[(7R)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations