Geometry & MOs

Info

ID:

186707

PubChem CID:

77471168

Reduced:

ClN5O5C34H38 (1)

Stoich.:

AB5C5D34E38 (1)

Weight, g/mol:

667.096218

ΔHf, kcal/mol:

-150.1

Dipole, Da:

8.58

IP(EA), eV:

 -8.39(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[3-[[4-[2-[5-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-2-methyl-1H-pyrazol-4-yl]ethynyl]phenyl]carbamoyl]-1,1-dioxo-1,4-thiazinan-4-yl]-2-oxo-1-thiophen-3-ylethyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)N2CCCCC2C(=O)NC3=CC=C(C=C3)C4CNNC4=C5C=C(C=CC5=O)Cl

DOS

IR

Vibrations