Geometry & MOs

Info

ID:	243102
PubChem CID:	99215631
Reduced:	OF3N4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	402.151433
ΔH_f, kcal/mol:	-117.98
Dipole, Da:	10.88
IP(EA), eV:	-9.14(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N,N-dimethyl-3-phenyl-3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C[C@H](C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F

DOS

IR

Vibrations