Geometry & MOs

Info

ID:

99972

PubChem CID:

50056747

Reduced:

ClF2O5N6C32H33 (1)

Stoich.:

AB2C5D6E32F33 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-261.07

Dipole, Da:

10.18

IP(EA), eV:

 -9.14(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations