Geometry & MOs

Info

ID:	182180
PubChem CID:	76856383
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	-126.64
Dipole, Da:	2.93
IP(EA), eV:	-9.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-4-oxo-4-phenylbutanamide

Drug info:

PubChemData

Smile

CC(C)CCC(C)NC(=O)C=CC1=CC=C(C=C1)C(=O)OC

DOS

IR

Vibrations