Geometry & MOs

Info

ID:	26345
PubChem CID:	645242
Reduced:	O2S2N3C4H7 (1)
Stoich.:	A2B2C3D4E7 (1)
Weight, g/mol:	408.190989
ΔH_f, kcal/mol:	-38.89
Dipole, Da:	5.73
IP(EA), eV:	-9.36(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[2-(4-ethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NS(=O)(=O)C

DOS

IR

Vibrations