Geometry & MOs

Info

ID:

97727

PubChem CID:

50034220

Reduced:

ClF2O5N6C39H39 (1)

Stoich.:

AB2C5D6E39F39 (1)

Weight, g/mol:

688.277611

ΔHf, kcal/mol:

-245.73

Dipole, Da:

5.99

IP(EA), eV:

 -9.03(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C)Cl

DOS

IR

Vibrations