Geometry & MOs

Info

ID:

105172

PubChem CID:

50106547

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-210.03

Dipole, Da:

7.55

IP(EA), eV:

 -8.57(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)C

DOS

IR

Vibrations