Geometry & MOs

Info

ID:	70851
PubChem CID:	48413951
Reduced:	SO3N4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	-79.5
Dipole, Da:	6.79
IP(EA), eV:	-9.32(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC(=O)NCC2=C(NN=C2)C)S(=O)(=O)C

DOS

IR

Vibrations