Geometry & MOs

Info

ID:	335734
PubChem CID:	127254596
Reduced:	SO3N6C19H22 (1)
Stoich.:	AB3C6D19E22 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	13.59
Dipole, Da:	3.64
IP(EA), eV:	-8.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-7-yl)hexanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCCCO3)N4C=NN=N4

DOS

IR

Vibrations