Geometry & MOs

Info

ID:	78586
PubChem CID:	49693730
Reduced:	ClSN4O4H11C16 (1)
Stoich.:	ABC4D4E11F16 (1)
Weight, g/mol:	377.023705
ΔH_f, kcal/mol:	37.61
Dipole, Da:	7.12
IP(EA), eV:	-9.43(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C\C(=O)NC2=NN=C(O2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations