Geometry & MOs

Info

ID:	406738
PubChem CID:	135078497
Reduced:	SSeN3O5C18H21 (1)
Stoich.:	ABC3D5E18F21 (1)
Weight, g/mol:	484.074067
ΔH_f, kcal/mol:	-66.35
Dipole, Da:	4.34
IP(EA), eV:	-8.55(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

methyl 4-[[4-(dinitromethylidene)-6-(4-methoxycarbonylphenoxy)-3,5-diaza-1-azanidacyclohexa-2,5-dien-2-yl]oxy]benzoate

Drug info:

PubChemData

Smile

CC1=C(N2[C@@H]([C@@H](C2=O)N[Se]C3=CC=CC=C3[N+](=O)[O-])SC1)C(=O)OC(C)(C)C

DOS

IR

Vibrations