Geometry & MOs

Info

ID:	16365
PubChem CID:	465608
Reduced:	BrO4N5C12H16 (1)
Stoich.:	AB4C5D12E16 (1)
Weight, g/mol:	373.03857
ΔH_f, kcal/mol:	-100.68
Dipole, Da:	4.86
IP(EA), eV:	-9.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3-(2-bromoethyl)-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)N(C1=O)CCBr)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]

DOS

IR

Vibrations