Geometry & MOs

Info

ID:	401338
PubChem CID:	135050988
Reduced:	NSO2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	461.146801
ΔH_f, kcal/mol:	-14.38
Dipole, Da:	3.01
IP(EA), eV:	-8.59(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-3-amino-2-[[[(2S,3S,5R)-3,4,5-triacetyloxyoxan-2-yl]amino]carbamothioyl]but-2-enoate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C#[N+][S-]

DOS

IR

Vibrations