Geometry & MOs

Info

ID:	44093
PubChem CID:	10500681
Reduced:	NSC26H33 (1)
Stoich.:	ABC26D33 (1)
Weight, g/mol:	391.072369
ΔH_f, kcal/mol:	24.39
Dipole, Da:	4.25
IP(EA), eV:	-8.39(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-benzylideneamino]-5-chloro-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@H]2[C@@H](C[C@H](N2C)C=C1C3=CC=C(C=C3)C)SC4=CC=C(C=C4)C

DOS

IR

Vibrations