Geometry & MOs

Info

ID:	134172
PubChem CID:	51657443
Reduced:	O2N3C26H32 (1)
Stoich.:	A2B3C26D32 (1)
Weight, g/mol:	434.122418
ΔH_f, kcal/mol:	-1.7
Dipole, Da:	3.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.112386
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorocyclohexyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide

Drug info:

PubChemData

Smile

COCCNC(=O)[C@@H]1C[C@H](C[NH+]1CC2=CC=CC=C2)NCC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations