Geometry & MOs

Info

ID:	148317
PubChem CID:	53787979
Reduced:	PSO2C8H11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	474.236601
ΔH_f, kcal/mol:	-111.3
Dipole, Da:	2.48
IP(EA), eV:	-9.01(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrrolidin-1-ylpropyl 6-(4-carbamoyloxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate

Drug info:

PubChemData

Smile

CCOP(OC1=CC=CC=C1)S

DOS

IR

Vibrations