Geometry & MOs

Info

ID:	46655
PubChem CID:	10525994
Reduced:	BrN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	417.0122
ΔH_f, kcal/mol:	-110.27
Dipole, Da:	3.99
IP(EA), eV:	-9.25(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H]([C@H](C(=O)O)O)NC(=O)C2=CC3=C(N2)C=CC(=C3)Br

DOS

IR

Vibrations