Geometry & MOs

Info

ID:	60353
PubChem CID:	26683875
Reduced:	NO7H19C21 (1)
Stoich.:	AB7C19D21 (1)
Weight, g/mol:	430.109962
ΔH_f, kcal/mol:	-242.84
Dipole, Da:	7.66
IP(EA), eV:	-9.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)N3CCCC3=O)C(=O)OC

DOS

IR

Vibrations