Geometry & MOs

Info

ID:	239743
PubChem CID:	93166967
Reduced:	ClSN3O3C25H34 (1)
Stoich.:	ABC3D3E25F34 (1)
Weight, g/mol:	491.200941
ΔH_f, kcal/mol:	-127.9
Dipole, Da:	4.12
IP(EA), eV:	-8.91(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations