Geometry & MOs

Info

ID:	188441
PubChem CID:	77718695
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	471.171559
ΔH_f, kcal/mol:	-140.05
Dipole, Da:	4.26
IP(EA), eV:	-9.43(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[4-(1,1-dihydroxy-3,4-dihydro-2H-thiochromen-4-yl)benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxylic acid

Drug info:

PubChemData

Smile

CCC1C(C(=O)CO1)NC(=O)C(CC(C)(C)C2=CC=CC=C2)NC(=O)C3=CNC=C3

DOS

IR

Vibrations