Geometry & MOs

Info

ID:

107002

PubChem CID:

50185359

Reduced:

F2N5O5C30H37 (1)

Stoich.:

A2B5C5D30E37 (1)

Weight, g/mol:

682.324561

ΔHf, kcal/mol:

-277.0

Dipole, Da:

9.86

IP(EA), eV:

 -8.93(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations