Geometry & MOs

Info

ID:

107301

PubChem CID:

50198125

Reduced:

O5N6C41H54 (1)

Stoich.:

A5B6C41D54 (1)

Weight, g/mol:

714.390497

ΔHf, kcal/mol:

-209.78

Dipole, Da:

3.89

IP(EA), eV:

 -8.61(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C)C)C

DOS

IR

Vibrations