Geometry & MOs

Info

ID:	195964
PubChem CID:	78755022
Reduced:	OSN5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	408.136845
ΔH_f, kcal/mol:	54.05
Dipole, Da:	3.01
IP(EA), eV:	-9.34(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NN=NN2C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations