Geometry & MOs

Info

ID:	42967
PubChem CID:	10317453
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	377.119798
ΔH_f, kcal/mol:	-12.15
Dipole, Da:	8.13
IP(EA), eV:	-9.45(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-7-[(4-phenylmethoxyphenyl)methyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)CN4CC(C4)C(=O)O

DOS

IR

Vibrations