Geometry & MOs

Info

ID:	239224
PubChem CID:	93166163
Reduced:	ClFSN2O3C26H26 (1)
Stoich.:	ABCD2E3F26G26 (1)
Weight, g/mol:	500.13367
ΔH_f, kcal/mol:	-114.84
Dipole, Da:	6.42
IP(EA), eV:	-9.28(-0.59)
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-fluoro-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations