Geometry & MOs

Info

ID:	427241
PubChem CID:	135156383
Reduced:	ClO5N6H33C34 (1)
Stoich.:	AB5C6D33E34 (1)
Weight, g/mol:	898.110269
ΔH_f, kcal/mol:	-107.03
Dipole, Da:	3.65
IP(EA), eV:	-8.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC=C(C=C2)CN3CCOC3=O)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)CN6CC[C@@H](C6)O)Cl

DOS

IR

Vibrations