Geometry & MOs

Info

ID:

425981

PubChem CID:

135134190

Reduced:

NO10C38H59 (1)

Stoich.:

AB10C38D59 (1)

Weight, g/mol:

513.285223

ΔHf, kcal/mol:

-475.28

Dipole, Da:

2.45

IP(EA), eV:

 -8.88(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[6-amino-3-[4-(3-imidazol-1-ylpropylamino)phenyl]imino-4-methylidenecyclohexa-1,5-dien-1-yl]amino]-N-(2-hydroxyethyl)anilino]ethanol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@H](C(C(C(O1)CO)O)O)O)NC(=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)O)O

DOS

IR

Vibrations