Geometry & MOs

Info

ID:	194354
PubChem CID:	78522477
Reduced:	NOH7C8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	455.115107
ΔH_f, kcal/mol:	-29.18
Dipole, Da:	4.3
IP(EA), eV:	-9.33(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2,4-dioxo-3-(4-phenoxyphenyl)-4a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-5-yl]-2-oxoethyl]sulfanylacetic acid

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)C(C1=CC=CC=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations