Geometry & MOs

Info

ID:

105978

PubChem CID:

50145106

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-193.22

Dipole, Da:

10.14

IP(EA), eV:

 -8.85(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[(4-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC(C)C)C)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations