Geometry & MOs

Info

ID:

110288

PubChem CID:

50318949

Reduced:

SO4N7C25H35 (1)

Stoich.:

AB4C7D25E35 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-126.41

Dipole, Da:

8.17

IP(EA), eV:

 -8.93(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-benzamido-4-fluoroanilino)-3-oxopropyl]-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N(C)C

DOS

IR

Vibrations