Geometry & MOs

Info

ID:	239659
PubChem CID:	93166861
Reduced:	ClSN3O4C25H34 (1)
Stoich.:	ABC3D4E25F34 (1)
Weight, g/mol:	507.195855
ΔH_f, kcal/mol:	-149.6
Dipole, Da:	7.97
IP(EA), eV:	-8.92(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations