Geometry & MOs

Info

ID:	37530
PubChem CID:	8021908
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	319.146681
ΔH_f, kcal/mol:	10.67
Dipole, Da:	4.87
IP(EA), eV:	-8.78(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NN=NN3C

DOS

IR

Vibrations