Geometry & MOs

Info

ID:

93504

PubChem CID:

49995085

Reduced:

BrO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

667.37337

ΔHf, kcal/mol:

-166.55

Dipole, Da:

8.88

IP(EA), eV:

 -8.88(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-methoxybenzoyl)amino]-4-methylphenyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations