Geometry & MOs

Info

ID:

107723

PubChem CID:

50216377

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-175.0

Dipole, Da:

6.53

IP(EA), eV:

 -8.61(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C)C

DOS

IR

Vibrations