Geometry & MOs

Info

ID:	198643
PubChem CID:	79128914
Reduced:	ClOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	-17.82
Dipole, Da:	6.82
IP(EA), eV:	-8.71(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-3-methylphenyl)sulfanyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1SCCC(=O)NC2=CC(=CC=C2)Cl)N

DOS

IR

Vibrations