Geometry & MOs

Info

ID:

91681

PubChem CID:

49978241

Reduced:

F3N5O5C30H36 (1)

Stoich.:

A3B5C5D30E36 (1)

Weight, g/mol:

692.369761

ΔHf, kcal/mol:

-322.92

Dipole, Da:

8.71

IP(EA), eV:

 -8.95(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations