Geometry & MOs

Info

ID:

106418

PubChem CID:

50162614

Reduced:

O5N6C38H56 (1)

Stoich.:

A5B6C38D56 (1)

Weight, g/mol:

728.406147

ΔHf, kcal/mol:

-253.05

Dipole, Da:

6.08

IP(EA), eV:

 -8.28(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NCC(C)C)C)C

DOS

IR

Vibrations