Geometry & MOs

Info

ID:	239685
PubChem CID:	93166894
Reduced:	ClSN3O3C24H32 (1)
Stoich.:	ABC3D3E24F32 (1)
Weight, g/mol:	477.185291
ΔH_f, kcal/mol:	-110.68
Dipole, Da:	4.14
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-ethyl-1-[(2R)-2-methylbutyl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations