Geometry & MOs

Info

ID:	47347
PubChem CID:	10531709
Reduced:	ClN5O5C31H46 (1)
Stoich.:	AB5C5D31E46 (1)
Weight, g/mol:	604.10828
ΔH_f, kcal/mol:	-259.22
Dipole, Da:	6.05
IP(EA), eV:	-8.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N[C@H](CC1=C(NC2=CC=CC=C21)Cl)C(=O)N[C@H](CCCC)C(=O)O)NC(=O)N3[C@@H](CCC[C@@H]3C)C

DOS

IR

Vibrations