Geometry & MOs

Info

ID:	447791
PubChem CID:	135285798
Reduced:	BrNSO4C12H16 (1)
Stoich.:	ABCD4E12F16 (1)
Weight, g/mol:	285.194008
ΔH_f, kcal/mol:	-170.59
Dipole, Da:	2.82
IP(EA), eV:	-10.25(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[ethyl(octoxycarbonyl)amino] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=C(C=C(C=C1)Br)CC(=O)O

DOS

IR

Vibrations