Geometry & MOs

Info

ID:	236124
PubChem CID:	92711686
Reduced:	ClSN2O2C25H27 (1)
Stoich.:	ABC2D2E25F27 (1)
Weight, g/mol:	478.192629
ΔH_f, kcal/mol:	-45.42
Dipole, Da:	1.58
IP(EA), eV:	-8.57(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(7S)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=C(C=C3)OC)C(=O)NC4=C(C=C(C=C4)C)Cl)C

DOS

IR

Vibrations