Geometry & MOs

Info

ID:	130462
PubChem CID:	51090901
Reduced:	SN3O4C13H25 (1)
Stoich.:	AB3C4D13E25 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-198.42
Dipole, Da:	2.96
IP(EA), eV:	-9.63(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dicyclopropyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC)C(=O)C1CCN(CC1)S(=O)(=O)CC

DOS

IR

Vibrations