Geometry & MOs

Info

ID:	148004
PubChem CID:	53787666
Reduced:	SN4O8C26H34 (1)
Stoich.:	AB4C8D26E34 (1)
Weight, g/mol:	375.196507
ΔH_f, kcal/mol:	-283.29
Dipole, Da:	10.97
IP(EA), eV:	-9.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-3,7,11-trimethyldodeca-2,6,10-trienyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N[C@@H]1C(=O)CCCCN1S(=O)(=O)C2=CC=C(C=C2)OC)NC(=O)CNC(=O)C3=CC=CO3

DOS

IR

Vibrations