Geometry & MOs

Info

ID:

104258

PubChem CID:

50100126

Reduced:

N3O3C16H22 (2)

Stoich.:

A3B3C16D22 (2)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-233.52

Dipole, Da:

9.31

IP(EA), eV:

 -8.8(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)OC

DOS

IR

Vibrations