Geometry & MOs

Info

ID:

106748

PubChem CID:

50175053

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-187.55

Dipole, Da:

3.98

IP(EA), eV:

 -8.88(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-fluoro-5-[(3-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC(C)C

DOS

IR

Vibrations