Geometry & MOs

Info

ID:	47272
PubChem CID:	10531040
Reduced:	N5O9C27H29 (1)
Stoich.:	A5B9C27D29 (1)
Weight, g/mol:	567.146407
ΔH_f, kcal/mol:	-313.58
Dipole, Da:	4.75
IP(EA), eV:	-10.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,5S)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-methylidenethiolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

COC(=O)C[C@H]1C(=O)N(CCN1C(=O)[C@H](CC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

DOS

IR

Vibrations