Geometry & MOs

Info

ID:

105734

PubChem CID:

50139321

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-225.12

Dipole, Da:

9.77

IP(EA), eV:

 -8.68(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylphenyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C)Cl)C

DOS

IR

Vibrations