Geometry & MOs

Info

ID:	390744
PubChem CID:	135000680
Reduced:	SSiO3N5C23H31 (1)
Stoich.:	ABC3D5E23F31 (1)
Weight, g/mol:	385.153875
ΔH_f, kcal/mol:	-101.86
Dipole, Da:	5.56
IP(EA), eV:	-9.0(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-phenyl-3-purin-9-ylbutanoyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC(CC(=O)NC(=O)C1=CC=CC=C1)N2C=NC3=C2N=CN=C3SC

DOS

IR

Vibrations