Geometry & MOs

Info

ID:

104798

PubChem CID:

50105557

Reduced:

O4N5C33H39 (1)

Stoich.:

A4B5C33D39 (1)

Weight, g/mol:

758.303968

ΔHf, kcal/mol:

-120.49

Dipole, Da:

10.37

IP(EA), eV:

 -8.48(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-fluoro-3-[(3-methoxybenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N(C)C)C

DOS

IR

Vibrations