Geometry & MOs

Info

ID:	188200
PubChem CID:	77681141
Reduced:	INSiO3C25H35 (1)
Stoich.:	ABCD3E25F35 (1)
Weight, g/mol:	442.258006
ΔH_f, kcal/mol:	-126.57
Dipole, Da:	2.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765159
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-3-[4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C(CCI)NC(=O)OC(C)(C)C)O[Si](C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations