Geometry & MOs

Info

ID:	62009
PubChem CID:	26716961
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-35.94
Dipole, Da:	4.22
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OC(=N3)C

DOS

IR

Vibrations