Geometry & MOs

Info

ID:	243037
PubChem CID:	99215232
Reduced:	BrFO2N3C22H23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	440.204611
ΔH_f, kcal/mol:	-91.16
Dipole, Da:	3.97
IP(EA), eV:	-8.5(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1CNC(=O)[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)F

DOS

IR

Vibrations