Geometry & MOs

Info

ID:	131963
PubChem CID:	51284523
Reduced:	SO3N4H14C18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	378.115047
ΔH_f, kcal/mol:	-58.95
Dipole, Da:	5.31
IP(EA), eV:	-9.38(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)NC(=O)N2CCC(=O)NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations