Geometry & MOs

Info

ID:	39466
PubChem CID:	8140899
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	387.118753
ΔH_f, kcal/mol:	-110.3
Dipole, Da:	3.47
IP(EA), eV:	-8.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=O)NCC(=O)NC2=C(C=CC=C2C)C

DOS

IR

Vibrations