Geometry & MOs

Info

ID:	78598
PubChem CID:	49700562
Reduced:	S2O4N7H21C22 (1)
Stoich.:	A2B4C7D21E22 (1)
Weight, g/mol:	421.124232
ΔH_f, kcal/mol:	43.29
Dipole, Da:	13.71
IP(EA), eV:	-8.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CSC2=NN=C(S2)N3CCN(CC3)C(=O)C4=NOC(=C4)C5=CC=CC=C5

DOS

IR

Vibrations