Geometry & MOs

Info

ID:	166600
PubChem CID:	74714315
Reduced:	O4N5C20H27 (1)
Stoich.:	A4B5C20D27 (1)
Weight, g/mol:	417.183461
ΔH_f, kcal/mol:	-136.43
Dipole, Da:	4.56
IP(EA), eV:	-8.84(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylsulfanylethyl)-4-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCNC(=O)CCCN2C=NC3C2C(=O)N(C(=O)N3C)C

DOS

IR

Vibrations