Geometry & MOs

Info

ID:	77472
PubChem CID:	49640650
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	406.086639
ΔH_f, kcal/mol:	-97.57
Dipole, Da:	6.08
IP(EA), eV:	-8.86(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorobenzoyl)amino]-3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)NCCC(=O)N3CCC4=C(C3)C=CS4)C)C

DOS

IR

Vibrations