Geometry & MOs

Info

ID:	61223
PubChem CID:	26707224
Reduced:	BrClN2O4C20H22 (1)
Stoich.:	ABC2D4E20F22 (1)
Weight, g/mol:	432.102289
ΔH_f, kcal/mol:	-129.44
Dipole, Da:	6.95
IP(EA), eV:	-9.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=CC(=C(C(=C2)OC)Br)OC

DOS

IR

Vibrations