Geometry & MOs

Info

ID:	261925
PubChem CID:	103259337
Reduced:	NSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	302.99286
ΔH_f, kcal/mol:	-72.77
Dipole, Da:	2.86
IP(EA), eV:	-8.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[(3-bromothiophen-2-yl)methylamino]-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNCC2=C(OC=C2)C(=O)O

DOS

IR

Vibrations