Geometry & MOs

Info

ID:	61061
PubChem CID:	26704993
Reduced:	N2S2O5C23H30 (1)
Stoich.:	A2B2C5D23E30 (1)
Weight, g/mol:	377.07939
ΔH_f, kcal/mol:	-196.54
Dipole, Da:	6.3
IP(EA), eV:	-8.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(SC=C3)C(=O)OC

DOS

IR

Vibrations