Geometry & MOs

Info

ID:	162032
PubChem CID:	57393393
Reduced:	N2O2S2C15H20 (1)
Stoich.:	A2B2C2D15E20 (1)
Weight, g/mol:	348.103397
ΔH_f, kcal/mol:	-37.48
Dipole, Da:	4.2
IP(EA), eV:	-8.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)S(=O)(=O)C2=CC=CC3=C2SC=C3

DOS

IR

Vibrations