Geometry & MOs

Info

ID:	151040
PubChem CID:	53790737
Reduced:	S3O7N9H15C16 (1)
Stoich.:	A3B7C9D15E16 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	3.53
IP(EA), eV:	-9.06(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1)C(C2=O)NC(=O)C(C3=CSC(=N3)N)N=O)C(=O)O)CSC4=NN=NN4CC(=O)O

DOS

IR

Vibrations