Geometry & MOs

Info

ID:	131757
PubChem CID:	51259128
Reduced:	SO2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	393.147075
ΔH_f, kcal/mol:	-10.57
Dipole, Da:	2.81
IP(EA), eV:	-8.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4-dimethyl-5-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=NN2CC3CCCO3

DOS

IR

Vibrations