Geometry & MOs

Info

ID:	131610
PubChem CID:	51234529
Reduced:	OS2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	17.72
Dipole, Da:	2.15
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC=C)SC1=NC=NC2=C1C3=C(S2)CCC3

DOS

IR

Vibrations