Geometry & MOs

Info

ID:	239237
PubChem CID:	93166177
Reduced:	ClSN2O3C27H29 (1)
Stoich.:	ABC2D3E27F29 (1)
Weight, g/mol:	496.158742
ΔH_f, kcal/mol:	-75.49
Dipole, Da:	4.81
IP(EA), eV:	-9.17(-0.43)
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-methyl-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N(CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(C)C

DOS

IR

Vibrations