Geometry & MOs

Info

ID:	170855
PubChem CID:	75286480
Reduced:	OF3N4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	344.094312
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	7.37
IP(EA), eV:	-8.93(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-4a,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2CC(NN2)C3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F)C

DOS

IR

Vibrations