Geometry & MOs

Info

ID:	437882
PubChem CID:	135227221
Reduced:	N3O6C32H55 (1)
Stoich.:	A3B6C32D55 (1)
Weight, g/mol:	316.160935
ΔH_f, kcal/mol:	-358.71
Dipole, Da:	11.48
IP(EA), eV:	-9.47(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[[4-(2-methylpentan-2-yl)phenyl]methylsulfanyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1(CCCCC[C@@]12C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3CCCCC3)NC(=O)OC(C)(C)C)C(=O)O)C

DOS

IR

Vibrations