Geometry & MOs

Info

ID:	180357
PubChem CID:	76620643
Reduced:	N3O5C29H39 (1)
Stoich.:	A3B5C29D39 (1)
Weight, g/mol:	402.005275
ΔH_f, kcal/mol:	-223.0
Dipole, Da:	9.03
IP(EA), eV:	-9.11(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)OC(C)(C)C)CC2=CC(=CC=C2)C3=CC=CC(=C3)CNC(=O)CCCC(=O)O

DOS

IR

Vibrations