Geometry & MOs

Info

ID:	85448
PubChem CID:	49875301
Reduced:	ClNSO4H12C14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	226.02998
ΔH_f, kcal/mol:	-122.4
Dipole, Da:	3.46
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-(5-methoxythiophen-2-yl)-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

COC(=O)CC1=C(C=C(S1)Cl)NC(=O)OC2=CC=CC=C2

DOS

IR

Vibrations