Geometry & MOs

Info

ID:	239627
PubChem CID:	93166812
Reduced:	ClSN3O3C28H32 (1)
Stoich.:	ABC3D3E28F32 (1)
Weight, g/mol:	477.185291
ΔH_f, kcal/mol:	-74.69
Dipole, Da:	4.73
IP(EA), eV:	-8.73(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N(CC(C)C)CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations