Geometry & MOs

Info

ID:	331908
PubChem CID:	127250194
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	448.118082
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	5.7
IP(EA), eV:	-8.4(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylthiadiazol-5-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations