Geometry & MOs

Info

ID:	177095
PubChem CID:	76135274
Reduced:	SN5O7C34H55 (1)
Stoich.:	AB5C7D34E55 (1)
Weight, g/mol:	400.201652
ΔH_f, kcal/mol:	-357.37
Dipole, Da:	4.59
IP(EA), eV:	-8.53(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[4-(chloromethyl)-4-hydroxyoct-1-enyl]-5-oxocyclopentyl]-2-hydroxyhept-5-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC(C(=O)NC(CCSC)C(=O)NCC(=O)N(CCCCCC(=O)OC)C(CC2CCCCC2)C(=O)N)N)C)O

DOS

IR

Vibrations