Geometry & MOs

Info

ID:	190636
PubChem CID:	78035815
Reduced:	O2F3N6H27C31 (1)
Stoich.:	A2B3C6D27E31 (1)
Weight, g/mol:	475.133255
ΔH_f, kcal/mol:	-87.92
Dipole, Da:	6.73
IP(EA), eV:	-9.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-1,2-benzoxazol-3-yl)amino]-2,2-dimethyl-6-piperidin-1-ylsulfinyl-3,4-dihydrochromen-3-ol

Drug info:

PubChemData

Smile

CC1CC2=C(C1C)C(=NN2CC(=O)NC(CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N)C#N

DOS

IR

Vibrations