Geometry & MOs

Info

ID:	404894
PubChem CID:	135071675
Reduced:	NSO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	430.165935
ΔH_f, kcal/mol:	-40.71
Dipole, Da:	5.4
IP(EA), eV:	-8.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(1R)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-prop-2-ynylamino]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)OC)C(=O)C(C2=CC=CC=C2)SC

DOS

IR

Vibrations