Geometry & MOs

Info

ID:	239452
PubChem CID:	93166511
Reduced:	ClSN2O4C27H27 (1)
Stoich.:	ABC2D4E27F27 (1)
Weight, g/mol:	510.138006
ΔH_f, kcal/mol:	-77.41
Dipole, Da:	4.82
IP(EA), eV:	-9.01(-0.36)
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]-4-methoxy-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N(CC=C)CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations