Geometry & MOs

Info

ID:	336583
PubChem CID:	127255590
Reduced:	N2O4C13H23 (2)
Stoich.:	A2B4C13D23 (2)
Weight, g/mol:	274.94293
ΔH_f, kcal/mol:	-424.48
Dipole, Da:	5.9
IP(EA), eV:	-9.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-2-hydroxy-5-nitrobenzoate

Drug info:

PubChemData

Smile

CCC(CC)[C@@H]([C@@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)OC)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)C

DOS

IR

Vibrations