Geometry & MOs

Info

ID:	68233
PubChem CID:	46508019
Reduced:	SN5O5C18H27 (1)
Stoich.:	AB5C5D18E27 (1)
Weight, g/mol:	444.140216
ΔH_f, kcal/mol:	-110.36
Dipole, Da:	2.01
IP(EA), eV:	-9.42(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations