Geometry & MOs

Info

ID:	190654
PubChem CID:	78036429
Reduced:	O7C20H26 (1)
Stoich.:	A7B20C26 (1)
Weight, g/mol:	521.179815
ΔH_f, kcal/mol:	-297.04
Dipole, Da:	3.11
IP(EA), eV:	-9.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-benzamido-2-oxopyrimidin-1-yl)-8-hydroxy-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]oxepin-4-yl] benzoate

Drug info:

PubChemData

Smile

CC1(OCC2C(O1)C3C(C(CO2)OC(=O)C4=CC=CC=C4)OC(O3)(C)C)C

DOS

IR

Vibrations