Geometry & MOs

Info

ID:	168912
PubChem CID:	75040870
Reduced:	NO4C8H13 (2)
Stoich.:	AB4C8D13 (2)
Weight, g/mol:	450.200216
ΔH_f, kcal/mol:	-380.09
Dipole, Da:	2.68
IP(EA), eV:	-10.1(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-(phenylcarbamoylamino)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]acetate

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2C3C(C(O2)(CC(=O)OC)NC(=O)N)OC(O3)(C)C)C

DOS

IR

Vibrations