Geometry & MOs

Info

ID:	390324
PubChem CID:	134998486
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	490.106157
ΔH_f, kcal/mol:	-135.28
Dipole, Da:	2.01
IP(EA), eV:	-9.17(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-[4-[[6-(4-sulfanylbutylsulfanyl)-1,2,4,5-tetrazin-3-yl]oxy]butoxy]-1,2,4,5-tetrazin-3-yl]sulfanyl]butane-1-thiol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C)C(=O)N2[C@@H](COC2=O)C(C)C

DOS

IR

Vibrations