Geometry & MOs

Info

ID:

145223

PubChem CID:

53481186

Reduced:

NO13C34H60 (2)

Stoich.:

AB13C34D60 (2)

Weight, g/mol:

530.256943

ΔHf, kcal/mol:

-1285.97

Dipole, Da:

11.11

IP(EA), eV:

 -9.4(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2,3-dimethyl-5-[(3-propan-2-ylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)CC(=O)C)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCCC/C=C\CCCCCC)O

DOS

IR

Vibrations