Geometry & MOs

Info

ID:	239499
PubChem CID:	93166586
Reduced:	ClSN2O4C23H29 (1)
Stoich.:	ABC2D4E23F29 (1)
Weight, g/mol:	526.169306
ΔH_f, kcal/mol:	-149.69
Dipole, Da:	4.44
IP(EA), eV:	-8.77(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methoxy-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@H]2C3=C(CCN2C(=O)CN(C(C)C)C(=O)COC)SC=C3)Cl

DOS

IR

Vibrations