Geometry & MOs

Info

ID:	239739
PubChem CID:	93166961
Reduced:	ClSN3O4C24H32 (1)
Stoich.:	ABC3D4E24F32 (1)
Weight, g/mol:	493.180205
ΔH_f, kcal/mol:	-148.41
Dipole, Da:	5.85
IP(EA), eV:	-8.64(-0.22)
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]-3-ethyl-1-(3-methoxypropyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations