Geometry & MOs

Info

ID:	161341
PubChem CID:	57391387
Reduced:	Cl2O3N5C37H45 (1)
Stoich.:	A2B3C5D37E45 (1)
Weight, g/mol:	376.115796
ΔH_f, kcal/mol:	-100.05
Dipole, Da:	5.05
IP(EA), eV:	-9.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)CCNCC5=CC(=CC(=C5)Cl)Cl)NC

DOS

IR

Vibrations