Geometry & MOs

Info

ID:	447091
PubChem CID:	135280220
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	448.03829
ΔH_f, kcal/mol:	-55.43
Dipole, Da:	2.86
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-4-(iodomethyl)-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)C2=NC3=C(N2)C=C(C=C3)C4=CC(=CC5=CC=CC=C54)O

DOS

IR

Vibrations