Geometry & MOs

Info

ID:

329458

PubChem CID:

126736972

Reduced:

SN2O5C21H32 (1)

Stoich.:

AB2C5D21E32 (1)

Weight, g/mol:

426.263091

ΔHf, kcal/mol:

-188.31

Dipole, Da:

9.16

IP(EA), eV:

 -8.84(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(Z)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetohydrazide

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC2=CC(=NC=C2)C[C@]3([C@@H](N(C3=O)COC)CS)OCOC

DOS

IR

Vibrations