Geometry & MOs

Info

ID:

107687

PubChem CID:

50214777

Reduced:

O5N6C34H44 (1)

Stoich.:

A5B6C34D44 (1)

Weight, g/mol:

682.384269

ΔHf, kcal/mol:

-199.1

Dipole, Da:

4.0

IP(EA), eV:

 -8.84(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5

DOS

IR

Vibrations