Geometry & MOs

Info

ID:	187835
PubChem CID:	77632903
Reduced:	O5N6C28H36 (1)
Stoich.:	A5B6C28D36 (1)
Weight, g/mol:	421.264835
ΔH_f, kcal/mol:	-98.04
Dipole, Da:	1.97
IP(EA), eV:	-8.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-(4-methoxyanilino)-3,5-dimethylhex-2-enoic acid

Drug info:

PubChemData

Smile

COCCN(CCOC)CC(COC1=CN=CC(=C1)C2=NC(=C3C=NC4=CC(=C(C=C4C3=C2)OC)OC)N)N

DOS

IR

Vibrations