Geometry & MOs

Info

ID:	46799
PubChem CID:	10527431
Reduced:	ClO5N7C18H18 (1)
Stoich.:	AB5C7D18E18 (1)
Weight, g/mol:	447.144865
ΔH_f, kcal/mol:	-132.58
Dipole, Da:	4.31
IP(EA), eV:	-9.28(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2R)-7-(3-chlorocarbazol-9-yl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC(=CC=C4)Cl)O)O

DOS

IR

Vibrations