Geometry & MOs

Info

ID:	442255
PubChem CID:	135250850
Reduced:	BrN2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	565.185903
ΔH_f, kcal/mol:	7.88
Dipole, Da:	5.03
IP(EA), eV:	-9.17(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[[(2R,3S,5R)-3,4-dihydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)thiolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1(C(NC(N1)C2=CC=C(C=C2)Br)(C)C)C

DOS

IR

Vibrations