Geometry & MOs

Info

ID:	306192
PubChem CID:	125002477
Reduced:	O2S2F3N5C20H20 (1)
Stoich.:	A2B2C3D5E20F20 (1)
Weight, g/mol:	438.237939
ΔH_f, kcal/mol:	-154.26
Dipole, Da:	5.19
IP(EA), eV:	-8.83(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC2=NC(=NC(=C2)[C@@H]3CCCN3S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C

DOS

IR

Vibrations