Geometry & MOs

Info

ID:	243051
PubChem CID:	99215302
Reduced:	SO2N5C23H41 (1)
Stoich.:	AB2C5D23E41 (1)
Weight, g/mol:	453.198717
ΔH_f, kcal/mol:	-89.18
Dipole, Da:	3.43
IP(EA), eV:	-8.04(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-[[cyclopropyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=S)N1C2CC2)CN3CCC[C@@H](C3)CN(C(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations