Geometry & MOs

Info

ID:	233620
PubChem CID:	91146285
Reduced:	FO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	421.155909
ΔH_f, kcal/mol:	-202.21
Dipole, Da:	6.11
IP(EA), eV:	-9.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[3-(methoxymethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(OC(=C1CC2=CC=C(C=C2)F)C(=O)CC(=O)C(=O)OC)C

DOS

IR

Vibrations