Geometry & MOs

Info

ID:	188997
PubChem CID:	77800398
Reduced:	SO3N6C25H30 (1)
Stoich.:	AB3C6D25E30 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-1.93
Dipole, Da:	7.74
IP(EA), eV:	-8.37(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-methyl-1-oxo-1-[2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]but-3-en-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(=CCC1N2CCOCC2)C3=CN=C4C(=N3)C(=CN4S(=O)(=O)C5=CC=CC=C5)C6CNNC6

DOS

IR

Vibrations