Geometry & MOs

Info

ID:	165211
PubChem CID:	74517219
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	-75.14
Dipole, Da:	5.54
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OC(C)C

DOS

IR

Vibrations