Geometry & MOs

Info

ID:	131589
PubChem CID:	51231403
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-14.04
Dipole, Da:	5.16
IP(EA), eV:	-8.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]ethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCCNC(=O)C3CC3

DOS

IR

Vibrations