Geometry & MOs

Info

ID:	229505
PubChem CID:	87567868
Reduced:	S3O4N6H18C19 (1)
Stoich.:	A3B4C6D18E19 (1)
Weight, g/mol:	537.123558
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	7.83
IP(EA), eV:	-8.68(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-7-[2-phenoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)S(=O)(=O)CC4=CC=NC=C4

DOS

IR

Vibrations