Geometry & MOs

Info

ID:

118295

PubChem CID:

50637382

Reduced:

ClN6O6C36H49 (1)

Stoich.:

AB6C6D36E49 (1)

Weight, g/mol:

637.246725

ΔHf, kcal/mol:

-259.26

Dipole, Da:

3.96

IP(EA), eV:

 -8.73(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-[(3-fluorobenzoyl)amino]-3-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations