Geometry & MOs

Info

ID:	78619
PubChem CID:	49700972
Reduced:	SO2N3C9H11 (2)
Stoich.:	AB2C3D9E11 (2)
Weight, g/mol:	421.10091
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	6.67
IP(EA), eV:	-9.29(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(4-chlorobutanoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CSC1=NN=C(S1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations