Geometry & MOs

Info

ID:	231771
PubChem CID:	87574632
Reduced:	S3N9O9H43C51 (1)
Stoich.:	A3B9C9D43E51 (1)
Weight, g/mol:	701.043916
ΔH_f, kcal/mol:	-128.37
Dipole, Da:	10.27
IP(EA), eV:	-9.29(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)OC(=O)C1CC(CC(C1)C(=O)OC(=O)CCCC(=O)NC2=NC(=C(S2)C#N)C3=CC=CC=C3)C(=O)NC4=NC(=C(S4)C#N)C5=CC=CC=C5)C(=O)NC6=NC(=C(S6)C#N)C7=CC=CC=C7

DOS

IR

Vibrations