Geometry & MOs

Info

ID:	65281
PubChem CID:	29211897
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	514.17871
ΔH_f, kcal/mol:	-67.26
Dipole, Da:	5.44
IP(EA), eV:	-9.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[[5-[2-(1,3-diphenylpropan-2-ylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@]1\2CC[C@H](C1(C)C)C/C2=N\NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC=C

DOS

IR

Vibrations