Geometry & MOs

Info

ID:

98270

PubChem CID:

50042079

Reduced:

ClFO4N5H35C36 (1)

Stoich.:

ABC4D5E35F36 (1)

Weight, g/mol:

706.329039

ΔHf, kcal/mol:

-149.23

Dipole, Da:

9.36

IP(EA), eV:

 -8.89(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(butan-2-ylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations