Geometry & MOs

Info

ID:	443388
PubChem CID:	135258807
Reduced:	ClSO2N5H18C19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	568.157045
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	6.88
IP(EA), eV:	-8.63(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (2S)-2-[[[(2R,3R,4S)-4-(4-cyano-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]butanedioate

Drug info:

PubChemData

Smile

CC1(NC(=O)C2=C(C=C(C(=O)N21)NC3=C4C5=C(CCCC5)SC4=NC=N3)Cl)C

DOS

IR

Vibrations