Geometry & MOs

Info

ID:

112985

PubChem CID:

50428221

Reduced:

FN6O6C42H45 (1)

Stoich.:

AB6C6D42E45 (1)

Weight, g/mol:

706.329039

ΔHf, kcal/mol:

-214.96

Dipole, Da:

15.15

IP(EA), eV:

 -8.73(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methoxy-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)OC)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations