Geometry & MOs

Info

ID:	313969
PubChem CID:	126619274
Reduced:	FO3N5H28C35 (1)
Stoich.:	AB3C5D28E35 (1)
Weight, g/mol:	490.105528
ΔH_f, kcal/mol:	-18.93
Dipole, Da:	9.52
IP(EA), eV:	-8.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl(trimethyl)azanium;N-[2-(2-methylprop-2-enoyloxy)ethyl]-N-(trifluoromethylsulfonyl)sulfamate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(N1C)C=CC(=C2)C3=CCCC3)C(=O)NC4=CC(=C(C=C4)OC5=NC=NC6=C5C(=CN6)C7=CC=CC=C7)F

DOS

IR

Vibrations