Geometry & MOs

Info

ID:

96399

PubChem CID:

50020615

Reduced:

O5N6C36H52 (1)

Stoich.:

A5B6C36D52 (1)

Weight, g/mol:

704.349775

ΔHf, kcal/mol:

-235.54

Dipole, Da:

7.61

IP(EA), eV:

 -8.87(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)C)C

DOS

IR

Vibrations