Geometry & MOs

Info

ID:

96829

PubChem CID:

50024742

Reduced:

O5N6C35H50 (1)

Stoich.:

A5B6C35D50 (1)

Weight, g/mol:

728.406147

ΔHf, kcal/mol:

-233.6

Dipole, Da:

2.94

IP(EA), eV:

 -8.5(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C

DOS

IR

Vibrations