Geometry & MOs

Info

ID:

106917

PubChem CID:

50181206

Reduced:

N6O7C34H44 (1)

Stoich.:

A6B7C34D44 (1)

Weight, g/mol:

686.322811

ΔHf, kcal/mol:

-263.13

Dipole, Da:

4.05

IP(EA), eV:

 -9.24(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(4-fluorophenyl)methylcarbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations