Geometry & MOs

Info

ID:	172982
PubChem CID:	75577980
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	425.279075
ΔH_f, kcal/mol:	-37.67
Dipole, Da:	4.22
IP(EA), eV:	-9.7(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethyl-10-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1,4a,5,5a,6,7,8,9,9a,10a-decahydrobenzo[g]pteridine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(C1C#N)SCC(=O)NC(C)C2CC3CCC2C3

DOS

IR

Vibrations