Geometry & MOs

Info

ID:

107802

PubChem CID:

50219494

Reduced:

O5N6C38H56 (1)

Stoich.:

A5B6C38D56 (1)

Weight, g/mol:

728.406147

ΔHf, kcal/mol:

-235.4

Dipole, Da:

8.69

IP(EA), eV:

 -9.06(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations