Geometry & MOs

Info

ID:

177316

PubChem CID:

76166474

Reduced:

NSSiO2C25H39 (1)

Stoich.:

ABCD2E25F39 (1)

Weight, g/mol:

591.367222

ΔHf, kcal/mol:

-95.5

Dipole, Da:

4.82

IP(EA), eV:

 -8.08(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hexa-2,4-dienoyl-7-[2-[5-methyl-2-[2-(1-methylcyclohexyl)ethenyl]-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(NS(=O)C(C)(C)C)[Si](CC(C)CO)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations