Geometry & MOs

Info

ID:	174589
PubChem CID:	75789826
Reduced:	OSN5C10H17 (1)
Stoich.:	ABC5D10E17 (1)
Weight, g/mol:	254.120132
ΔH_f, kcal/mol:	-6.93
Dipole, Da:	9.97
IP(EA), eV:	-8.97(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1NC(CC(=O)N1)CSC2=NN=C(N2C)C

DOS

IR

Vibrations