Geometry & MOs

Info

ID:	307288
PubChem CID:	125299354
Reduced:	O4N5C23H25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	390.115047
ΔH_f, kcal/mol:	-35.91
Dipole, Da:	8.25
IP(EA), eV:	-9.8(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6S)-6-methyl-4-oxo-3-phenyl-6H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1N=C2C(=NC(=NC2=O)N)N1COC(COCC3=CC=CC=C3)COCC4=CC=CC=C4

DOS

IR

Vibrations