Geometry & MOs

Info

ID:	84534
PubChem CID:	49867395
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	308.040952
ΔH_f, kcal/mol:	-34.81
Dipole, Da:	3.9
IP(EA), eV:	-9.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-3-hydroxy-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C[C@@H](C(=O)NCC=N)NC(=O)C2=CC(=NN2C)C(C)(C)C

DOS

IR

Vibrations