Geometry & MOs

Info

ID:	61599
PubChem CID:	26710885
Reduced:	SN3O3H17C18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	381.060569
ΔH_f, kcal/mol:	9.0
Dipole, Da:	8.43
IP(EA), eV:	-8.72(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzoxazol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations