Geometry & MOs

Info

ID:	131502
PubChem CID:	51215216
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	387.209282
ΔH_f, kcal/mol:	-68.84
Dipole, Da:	3.44
IP(EA), eV:	-9.06(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylethyl)-2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)CSC1=NN=C(N1C)C2COC3=CC=CC=C3O2

DOS

IR

Vibrations