Geometry & MOs

Info

ID:

106716

PubChem CID:

50173573

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-218.11

Dipole, Da:

1.72

IP(EA), eV:

 -8.87(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(diethylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations