Geometry & MOs

Info

ID:

106419

PubChem CID:

50162615

Reduced:

FO5N6C41H53 (1)

Stoich.:

AB5C6D41E53 (1)

Weight, g/mol:

702.446869

ΔHf, kcal/mol:

-258.99

Dipole, Da:

3.3

IP(EA), eV:

 -8.19(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclohexanecarbonylamino)-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations