Geometry & MOs

Info

ID:	445950
PubChem CID:	135270010
Reduced:	SO3N5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-17.02
Dipole, Da:	3.95
IP(EA), eV:	-9.85(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C2=NN=C(O2)CCN)C3=CC=C(C=C3)S(=O)(=O)C(C)C

DOS

IR

Vibrations