Geometry & MOs

Info

ID:	160602
PubChem CID:	57389177
Reduced:	O2N3H25C27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	312.025244
ΔH_f, kcal/mol:	25.23
Dipole, Da:	5.77
IP(EA), eV:	-8.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-sulfonamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)OCCN(C3)C4=CC=NC5=CC=CC=C54

DOS

IR

Vibrations