Geometry & MOs

Info

ID:	239718
PubChem CID:	93166936
Reduced:	ClSN3O3C23H30 (1)
Stoich.:	ABC3D3E23F30 (1)
Weight, g/mol:	477.185291
ΔH_f, kcal/mol:	-112.71
Dipole, Da:	5.51
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations