Geometry & MOs

Info

ID:	264822
PubChem CID:	103493656
Reduced:	ISN2O5C12H15 (1)
Stoich.:	ABC2D5E12F15 (1)
Weight, g/mol:	317.95212
ΔH_f, kcal/mol:	-173.33
Dipole, Da:	7.2
IP(EA), eV:	-9.6(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-(methoxycarbonylsulfamoylamino)propanoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(C(=O)OC)I

DOS

IR

Vibrations