Geometry & MOs

Info

ID:

112045

PubChem CID:

50392981

Reduced:

O4N5C36H51 (1)

Stoich.:

A4B5C36D51 (1)

Weight, g/mol:

633.38902

ΔHf, kcal/mol:

-193.47

Dipole, Da:

4.14

IP(EA), eV:

 -8.8(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations