Geometry & MOs

Info

ID:	262928
PubChem CID:	103329805
Reduced:	OSN5C14H21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	307.146681
ΔH_f, kcal/mol:	-19.45
Dipole, Da:	6.4
IP(EA), eV:	-8.15(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)NC)NCCC(=O)NC(C)C

DOS

IR

Vibrations