Geometry & MOs

Info

ID:	443352
PubChem CID:	135258673
Reduced:	N2C9H20 (1)
Stoich.:	A2B9C20 (1)
Weight, g/mol:	479.162725
ΔH_f, kcal/mol:	-7.65
Dipole, Da:	1.78
IP(EA), eV:	-8.76(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)C(=NC)N(C)C

DOS

IR

Vibrations