Geometry & MOs

Info

ID:	239260
PubChem CID:	93166206
Reduced:	ClSN2O3C22H27 (1)
Stoich.:	ABC2D3E22F27 (1)
Weight, g/mol:	502.115163
ΔH_f, kcal/mol:	-102.35
Dipole, Da:	4.19
IP(EA), eV:	-8.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C

DOS

IR

Vibrations