Geometry & MOs

Info

ID:	188358
PubChem CID:	77704406
Reduced:	N2O7C28H42 (1)
Stoich.:	A2B7C28D42 (1)
Weight, g/mol:	447.144865
ΔH_f, kcal/mol:	-338.93
Dipole, Da:	4.35
IP(EA), eV:	-9.21(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxyethyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCOC1C2C(OC1C(C)NC(=O)NC3=CC=C(C=C3)CC(=O)O)OC4(O2)CCCCC4

DOS

IR

Vibrations