Geometry & MOs

Info

ID:	27238
PubChem CID:	819831
Reduced:	N2O5H14C17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	345.093583
ΔH_f, kcal/mol:	-74.94
Dipole, Da:	5.72
IP(EA), eV:	-9.99(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-(3-phenyl-1,3-benzothiazol-2-ylidene)urea

Drug info:

PubChemData

Smile

C/C(=C(\C(=O)O)/NC(=O)C1=CC=CC=C1)/C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations