Geometry & MOs

Info

ID:	449212
PubChem CID:	135296884
Reduced:	NO3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	556.160136
ΔH_f, kcal/mol:	-210.41
Dipole, Da:	17.74
IP(EA), eV:	-9.24(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-1-[5-[3-chloro-4-[[(1S)-2,2-difluoro-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]piperidin-4-yl] formate

Drug info:

PubChemData

Smile

CC1(CC[C@H]2N1N3C=C(C(=O)C=C3C4=C2C=C(C(=C4)COC)OCCCOC)C(=O)O)C

DOS

IR

Vibrations