Geometry & MOs

Info

ID:	309679
PubChem CID:	126554280
Reduced:	NO4C29H29 (1)
Stoich.:	AB4C29D29 (1)
Weight, g/mol:	572.303893
ΔH_f, kcal/mol:	-108.22
Dipole, Da:	5.4
IP(EA), eV:	-8.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=CC4=C3C=CC(=C4)C(=O)OC)C

DOS

IR

Vibrations