Geometry & MOs

Info

ID:	206776
PubChem CID:	80300750
Reduced:	BrSN3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	101.47
Dipole, Da:	5.81
IP(EA), eV:	-8.22(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(5-hydroxypentan-2-ylamino)benzamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C2N=CC=N2)S1)C3=CC(=CC=C3)Br

DOS

IR

Vibrations