Geometry & MOs

Info

ID:	45106
PubChem CID:	10508061
Reduced:	SN4O4H26C27 (1)
Stoich.:	AB4C4D26E27 (1)
Weight, g/mol:	617.226096
ΔH_f, kcal/mol:	-35.14
Dipole, Da:	2.42
IP(EA), eV:	-8.23(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-(benzhydrylideneamino)-3-[(2R,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxypropanoate

Drug info:

PubChemData

Smile

COC(=O)CC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4SC

DOS

IR

Vibrations