Geometry & MOs

Info

ID:

120359

PubChem CID:

50724045

Reduced:

ClFO4N5C31H33 (1)

Stoich.:

ABC4D5E31F33 (1)

Weight, g/mol:

748.351525

ΔHf, kcal/mol:

-172.49

Dipole, Da:

2.75

IP(EA), eV:

 -8.82(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[[2-(4-fluorophenyl)acetyl]amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations