Geometry & MOs

Info

ID:	169985
PubChem CID:	75176910
Reduced:	SO3N4C28H30 (1)
Stoich.:	AB3C4D28E30 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-0.87
Dipole, Da:	7.9
IP(EA), eV:	-8.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=NNC(=O)CSC3=NC4=CC=CC=C4N3)OC

DOS

IR

Vibrations