Geometry & MOs

Info

ID:	239632
PubChem CID:	93166821
Reduced:	ClSN3O4C24H26 (1)
Stoich.:	ABC3D4E24F26 (1)
Weight, g/mol:	487.133255
ΔH_f, kcal/mol:	-101.62
Dipole, Da:	4.48
IP(EA), eV:	-9.09(-0.47)
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]-3-ethyl-1-(furan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CCNC(=O)N(CC1=CC=CO1)CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations