Geometry & MOs

Info

ID:	403081
PubChem CID:	135058653
Reduced:	BSO5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-276.16
Dipole, Da:	1.6
IP(EA), eV:	-9.1(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OS(=O)(=O)C

DOS

IR

Vibrations