Geometry & MOs

Info

ID:	214465
PubChem CID:	85083086
Reduced:	SN3O7C26H39 (1)
Stoich.:	AB3C7D26E39 (1)
Weight, g/mol:	538.178767
ΔH_f, kcal/mol:	-292.88
Dipole, Da:	1.15
IP(EA), eV:	-9.58(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethoxymethyl)-2-methyl-4-[N-[(2-methyltetrazol-5-yl)methyl]-4-(trifluoromethyl)anilino]-6-nitro-3,4-dihydrochromen-3-ol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)N2CCOCC2

DOS

IR

Vibrations