Geometry & MOs

Info

ID:

96176

PubChem CID:

50019324

Reduced:

F2O5N6C42H46 (1)

Stoich.:

A2B5C6D42E46 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-255.93

Dipole, Da:

9.59

IP(EA), eV:

 -8.49(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(cyclohexanecarbonylamino)-3-methylanilino]-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)CC5=CC=C(C=C5)F)C

DOS

IR

Vibrations