Geometry & MOs

Info

ID:

232683

PubChem CID:

87576717

Reduced:

O5N9C54H75 (1)

Stoich.:

A5B9C54D75 (1)

Weight, g/mol:

456.204907

ΔHf, kcal/mol:

-214.59

Dipole, Da:

8.5

IP(EA), eV:

 -8.48(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[2-(ethylcarbamoyl)-3-(1H-indol-3-yl)-4,5-dimethylphenyl]-2-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(=O)NC(C)(C)C.CC1=C(C=CC(=C1)NC(=O)NCC(C)(C)C)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(=O)NC(C)(C)C

DOS

IR

Vibrations