Geometry & MOs

Info

ID:	239624
PubChem CID:	93166808
Reduced:	ClSN3O3C23H30 (1)
Stoich.:	ABC3D3E23F30 (1)
Weight, g/mol:	477.185291
ΔH_f, kcal/mol:	-102.22
Dipole, Da:	2.9
IP(EA), eV:	-9.08(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propan-2-ylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations