Geometry & MOs

Info

ID:

97313

PubChem CID:

50030160

Reduced:

BrF2O5N6C31H31 (1)

Stoich.:

AB2C5D6E31F31 (1)

Weight, g/mol:

730.248202

ΔHf, kcal/mol:

-246.03

Dipole, Da:

9.1

IP(EA), eV:

 -9.1(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Br)C(=O)N

DOS

IR

Vibrations