Geometry & MOs

Info

ID:	233216
PubChem CID:	89449346
Reduced:	SSiO2N3C28H29 (1)
Stoich.:	ABC2D3E28F29 (1)
Weight, g/mol:	492.204907
ΔH_f, kcal/mol:	-14.66
Dipole, Da:	3.13
IP(EA), eV:	-8.65(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[4-[1-(2-methylphenyl)ethoxycarbonylamino]pyridin-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=CC=CC(=C1)NC2=NC=NC3=C2SC(=C3)C4=CC=C(C=C4)C5=CC=CO5

DOS

IR

Vibrations