Geometry & MOs

Info

ID:	180505
PubChem CID:	76645185
Reduced:	PSN7O8C46H56 (1)
Stoich.:	ABC7D8E46F56 (1)
Weight, g/mol:	190.172151
ΔH_f, kcal/mol:	-272.66
Dipole, Da:	7.91
IP(EA), eV:	-8.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5CCCC5)C(=O)NC6(CC6C=C)P(=O)(CC7=CC(=CC=C7)C#N)O

DOS

IR

Vibrations