Geometry & MOs

Info

ID:	176560
PubChem CID:	76066381
Reduced:	SSiCl2N2O5C33H44 (1)
Stoich.:	ABC2D2E5F33G44 (1)
Weight, g/mol:	484.144823
ΔH_f, kcal/mol:	-210.53
Dipole, Da:	2.65
IP(EA), eV:	-8.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(tetrazolidin-5-yl)methyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=C2C3=C(CC4C5(C3(CCN4CC6CC6)C(O2)C(CC5)NS(=O)(=O)CC7=CC(=C(C=C7)Cl)Cl)O)C=C1

DOS

IR

Vibrations