Geometry & MOs

Info

ID:

91588

PubChem CID:

49977204

Reduced:

ClN6O7C34H43 (1)

Stoich.:

AB6C7D34E43 (1)

Weight, g/mol:

702.317726

ΔHf, kcal/mol:

-273.57

Dipole, Da:

8.24

IP(EA), eV:

 -8.95(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-[(4-methoxybenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations