Geometry & MOs

Info

ID:	187894
PubChem CID:	77639790
Reduced:	BrSN2O7H21C23 (1)
Stoich.:	ABC2D7E21F23 (1)
Weight, g/mol:	387.182588
ΔH_f, kcal/mol:	-230.08
Dipole, Da:	9.74
IP(EA), eV:	-9.2(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-benzimidazol-2-yl)-4-N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)pentane-1,4-diamine;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CN(C3=O)S(=O)(=O)C)C(=O)O

DOS

IR

Vibrations