Geometry & MOs

Info

ID:	61312
PubChem CID:	26708120
Reduced:	OCl2F3N3H14C18 (1)
Stoich.:	AB2C3D3E14F18 (1)
Weight, g/mol:	395.026203
ΔH_f, kcal/mol:	-142.42
Dipole, Da:	4.16
IP(EA), eV:	-9.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F

DOS

IR

Vibrations