Geometry & MOs

Info

ID:

444592

PubChem CID:

135262930

Reduced:

N3O4C30H33 (1)

Stoich.:

A3B4C30D33 (1)

Weight, g/mol:

522.218843

ΔHf, kcal/mol:

-113.69

Dipole, Da:

4.21

IP(EA), eV:

 -8.81(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]-1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=CC=C2)NC(=O)CC3=CC4=C(C=C3)NC(=O)C(O4)(C)C)N5CCOCC5

DOS

IR

Vibrations