Geometry & MOs

Info

ID:	298982
PubChem CID:	117664995
Reduced:	ClO4N5H22C23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	485.231456
ΔH_f, kcal/mol:	-89.81
Dipole, Da:	4.67
IP(EA), eV:	-8.74(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-benzyl-4-(1H-indol-6-yl)phenyl]-[7-(hydroxyamino)-7-oxoheptyl]carbamic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H](CC2=CC=CC=C12)NC3=NC(=NC=C3Cl)NC4=C(C=C(C=C4)C(=O)O)OC

DOS

IR

Vibrations