Geometry & MOs

Info

ID:	33396
PubChem CID:	7886241
Reduced:	SO3N4H14C18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	4.26
Dipole, Da:	5.37
IP(EA), eV:	-8.87(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations