Geometry & MOs

Info

ID:	307499
PubChem CID:	125307151
Reduced:	SN2O5H14C16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	292.128388
ΔH_f, kcal/mol:	-109.34
Dipole, Da:	10.53
IP(EA), eV:	-9.0(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-[[(6S)-3,5-dioxo-6H-1,2,4-triazin-6-yl]amino]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NC2=C3C=CC=CC3=N[C@H]2C(=O)O

DOS

IR

Vibrations