Geometry & MOs

Info

ID:	159288
PubChem CID:	57269455
Reduced:	N2O5F7C32H41 (1)
Stoich.:	A2B5C7D32E41 (1)
Weight, g/mol:	428.122835
ΔH_f, kcal/mol:	-540.48
Dipole, Da:	8.6
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4,4-bis(methylsulfanyl)-2,3-dihydrochromen-6-yl]-5-pyrimidin-2-ylhept-6-ynoic acid

Drug info:

PubChemData

Smile

CCCC(CC(=O)N(C1=CC(=C(C=C1)O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)O)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

DOS

IR

Vibrations