Geometry & MOs

Info

ID:	239683
PubChem CID:	93166892
Reduced:	ClSN3O4C25H32 (1)
Stoich.:	ABC3D4E25F32 (1)
Weight, g/mol:	477.185291
ΔH_f, kcal/mol:	-135.7
Dipole, Da:	6.27
IP(EA), eV:	-9.32(-0.57)
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]-3-ethyl-1-[(2R)-2-methylbutyl]urea

Drug info:

PubChemData

Smile

CCCNC(=O)N(C[C@H]1CCCO1)CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations