Geometry & MOs

Info

ID:	244683
PubChem CID:	99376399
Reduced:	SO3N5H21C22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	425.188546
ΔH_f, kcal/mol:	-20.18
Dipole, Da:	4.95
IP(EA), eV:	-9.15(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C3=CC=CO3)C(=O)NCCC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations