Geometry & MOs

Info

ID:

176251

PubChem CID:

76018719

Reduced:

NO4C16H29 (2)

Stoich.:

AB4C16D29 (2)

Weight, g/mol:

916.40709

ΔHf, kcal/mol:

-434.58

Dipole, Da:

5.27

IP(EA), eV:

 -9.73(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4,7-bis(carboxymethyl)-10-[6-[2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]hexyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium

Drug info:

PubChemData

Smile

CC(C)CCCCCCCCCCOC(=O)C1CCC(C(=O)N(C1)C)NC(=O)C(C(C(C(C=CC(C)C)O)O)O)OC

DOS

IR

Vibrations