Geometry & MOs

Info

ID:	179276
PubChem CID:	76459513
Reduced:	PN7O10C40H56 (1)
Stoich.:	AB7C10D40E56 (1)
Weight, g/mol:	422.09402
ΔH_f, kcal/mol:	-434.68
Dipole, Da:	2.73
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-4,5-bis(2,2-dimethylpropanoyloxy)oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C(C(OC1N2C=NC3=C2N=C(N=C3OC)N)COP(=O)(NC(CC4=CC=CC=C4)C(=O)OCC(C)(C)C)NC(CC5=CC=CC=C5)C(=O)OCC(C)(C)C)O)O

DOS

IR

Vibrations