Geometry & MOs

Info

ID:	443050
PubChem CID:	135257535
Reduced:	SN2F5O6H41C45 (1)
Stoich.:	AB2C5D6E41F45 (1)
Weight, g/mol:	433.188923
ΔH_f, kcal/mol:	-356.52
Dipole, Da:	3.37
IP(EA), eV:	-9.05(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)[C@H]6CCCN6S(=O)(=O)C7=C(C(=C(C(=C7F)F)F)F)F

DOS

IR

Vibrations