Geometry & MOs

Info

ID:	192489
PubChem CID:	78275090
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	418.083707
ΔH_f, kcal/mol:	19.07
Dipole, Da:	2.36
IP(EA), eV:	-8.29(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-3-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-4aH-pyrido[2,3-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC3C2C(=O)NC(N3)CN(C)CC4=CC=CC=C4

DOS

IR

Vibrations