Geometry & MOs

Info

ID:	42197
PubChem CID:	8149296
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	-66.13
Dipole, Da:	4.41
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CNC3=CC(=CC=C3)NC(=O)C)C

DOS

IR

Vibrations