Geometry & MOs

Info

ID:	173681
PubChem CID:	75668214
Reduced:	SO2N5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	442.053138
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	2.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.834274
Charge, e:	-1

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CC1(CC2=C(CO1)SC3=[N+](C(=O)N4C(=C23)N=C(N4)C5CCCNC5)C)C

DOS

IR

Vibrations