Geometry & MOs

Info

ID:	371777
PubChem CID:	131271612
Reduced:	SN3O3C9H9 (1)
Stoich.:	AB3C3D9E9 (1)
Weight, g/mol:	273.95892
ΔH_f, kcal/mol:	-85.29
Dipole, Da:	3.82
IP(EA), eV:	-9.13(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4-bromo-3-nitrophenyl)acetic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2C(=C(NC2=O)C)C(=O)O

DOS

IR

Vibrations