Geometry & MOs

Info

ID:	41940
PubChem CID:	8147876
Reduced:	SO2N3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	366.134148
ΔH_f, kcal/mol:	21.73
Dipole, Da:	6.43
IP(EA), eV:	-9.08(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-3-(1,3-benzoxazol-2-yl)-4-(3-methoxy-2-propan-2-yloxyphenyl)but-3-enoate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)NC(=C(C=C4C=CC(=O)C=C4)C#N)NC3=O

DOS

IR

Vibrations