Geometry & MOs

Info

ID:	159985
PubChem CID:	57304301
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	426.200216
ΔH_f, kcal/mol:	-183.31
Dipole, Da:	6.45
IP(EA), eV:	-9.92(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[10-(carboxymethyl)-4,7,13,16-tetraoxo-1,10-diazacyclooctadec-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1C(C(=O)C=C2[C@]1([C@@H]3CC[C@]4([C@H]([C@@H]3CC2=C)CCC4CC(=O)O)C)C)O

DOS

IR

Vibrations