Geometry & MOs

Info

ID:	133864
PubChem CID:	51603267
Reduced:	ClOSN5H18C20 (1)
Stoich.:	ABCD5E18F20 (1)
Weight, g/mol:	422.071862
ΔH_f, kcal/mol:	48.47
Dipole, Da:	4.54
IP(EA), eV:	-8.63(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-propan-2-ylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N2[C@H](N=C(N=C2N1)NC3=CC=CC=C3Cl)C4=CC=C(C=C4)SC

DOS

IR

Vibrations