Geometry & MOs

Info

ID:	244682
PubChem CID:	99376396
Reduced:	SO3N5H21C22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	435.136511
ΔH_f, kcal/mol:	3.76
Dipole, Da:	4.97
IP(EA), eV:	-9.25(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC3=C(C(=NO3)C)C(=C2)C(=O)NCCC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations