Geometry & MOs

Info

ID:	77717
PubChem CID:	49658718
Reduced:	SN4O4H22C26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	379.110296
ΔH_f, kcal/mol:	-50.05
Dipole, Da:	4.45
IP(EA), eV:	-9.12(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]triazol-4-amine

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations