Geometry & MOs

Info

ID:

179830

PubChem CID:

76538591

Reduced:

SO4N6C25H38 (1)

Stoich.:

AB4C6D25E38 (1)

Weight, g/mol:

554.21409

ΔHf, kcal/mol:

-136.16

Dipole, Da:

6.77

IP(EA), eV:

 -8.55(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[[[1-ethoxyimino-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]butan-2-ylidene]hydrazinylidene]methyl]phenyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC(=C2)CS(=O)(=O)C(C)(C)C)C3=CC=C(C=C3)NC(=O)NCCN(C)C

DOS

IR

Vibrations