Geometry & MOs

Info

ID:

147760

PubChem CID:

53787418

Reduced:

OC11H14 (1)

Stoich.:

AB11C14 (1)

Weight, g/mol:

1235.660876

ΔHf, kcal/mol:

-35.9

Dipole, Da:

4.15

IP(EA), eV:

-9.25(-0.41)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[15,18-di(butan-2-yl)-6-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)C)C=O

DOS

IR

Vibrations