Geometry & MOs

Info

ID:	239426
PubChem CID:	93166472
Reduced:	ClSN2O4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	508.158742
ΔH_f, kcal/mol:	-103.99
Dipole, Da:	3.35
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-2-methylbenzamide

Drug info:

PubChemData

Smile

COCC(=O)N(CC1CC1)CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations