Geometry & MOs

Info

ID:

118266

PubChem CID:

50636454

Reduced:

ClF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-261.25

Dipole, Da:

5.81

IP(EA), eV:

 -9.2(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[3-methyl-4-[(4-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations