Geometry & MOs

Info

ID:	365699
PubChem CID:	127318424
Reduced:	NOSC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	300.104482
ΔH_f, kcal/mol:	-32.14
Dipole, Da:	5.05
IP(EA), eV:	-8.68(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1C2CCCC=C2

DOS

IR

Vibrations