Geometry & MOs

Info

ID:

113325

PubChem CID:

50440019

Reduced:

BrFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-212.19

Dipole, Da:

10.52

IP(EA), eV:

 -8.79(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(4-fluorobenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)N(C)C)C

DOS

IR

Vibrations