Geometry & MOs

Info

ID:	37525
PubChem CID:	8021854
Reduced:	SO2N6C15H20 (1)
Stoich.:	AB2C6D15E20 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	-1.84
Dipole, Da:	4.49
IP(EA), eV:	-8.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)CSC2=NN=NN2C

DOS

IR

Vibrations