Geometry & MOs

Info

ID:	161949
PubChem CID:	57393149
Reduced:	ClO3N5C37H46 (1)
Stoich.:	AB3C5D37E46 (1)
Weight, g/mol:	404.147096
ΔH_f, kcal/mol:	-98.94
Dipole, Da:	4.25
IP(EA), eV:	-9.14(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[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)NC

DOS

IR

Vibrations