Geometry & MOs

Info

ID:

107265

PubChem CID:

50196501

Reduced:

N6O6C35H48 (1)

Stoich.:

A6B6C35D48 (1)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-264.09

Dipole, Da:

10.34

IP(EA), eV:

 -8.22(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-methoxy-4-(2-methylbutanoylamino)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C)OC)C

DOS

IR

Vibrations