Geometry & MOs

Info

ID:	323759
PubChem CID:	126676037
Reduced:	N3O5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	654.97529
ΔH_f, kcal/mol:	-198.7
Dipole, Da:	5.35
IP(EA), eV:	-9.42(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,3R)-4,4-dibromo-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(CC1)C=C(C=C2)CN3C=C(C=C(C3=O)C(=O)NC)C=O

DOS

IR

Vibrations