Geometry & MOs

Info

ID:	131689
PubChem CID:	51245297
Reduced:	ClOSN6C13H13 (1)
Stoich.:	ABCD6E13F13 (1)
Weight, g/mol:	371.164063
ΔH_f, kcal/mol:	70.08
Dipole, Da:	3.3
IP(EA), eV:	-9.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-ethylphenyl)-6-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)SCC(=O)NC2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations