Geometry & MOs

Info

ID:	175682
PubChem CID:	75935136
Reduced:	FON6C23H24 (1)
Stoich.:	ABC6D23E24 (1)
Weight, g/mol:	471.170216
ΔH_f, kcal/mol:	44.73
Dipole, Da:	3.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.135233
Charge, e:	1

Chem-info

IUPAC name:

[2-[[5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-1-(4-methylphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N3CCC[N+](=C4NC5C=CC=CC5=N4)CC3

DOS

IR

Vibrations