Geometry & MOs

Info

ID:	367060
PubChem CID:	127323045
Reduced:	OSN4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	357.125946
ΔH_f, kcal/mol:	82.7
Dipole, Da:	5.04
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)SC3=NNC(=N3)C4CC4

DOS

IR

Vibrations