Geometry & MOs

Info

ID:	335562
PubChem CID:	127254424
Reduced:	SO2N7C16H19 (1)
Stoich.:	AB2C7D16E19 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	27.29
Dipole, Da:	7.13
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-N-(1H-1,2,4-triazol-5-yl)hexanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C)N3C=NN=N3

DOS

IR

Vibrations