Geometry & MOs

Info

ID:

115342

PubChem CID:

50519584

Reduced:

ClF3N5O5C29H35 (1)

Stoich.:

AB3C5D5E29F35 (1)

Weight, g/mol:

676.277611

ΔHf, kcal/mol:

-361.15

Dipole, Da:

8.48

IP(EA), eV:

 -8.91(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[3-methoxy-4-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC=C1OC(F)(F)F)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C

DOS

IR

Vibrations