Geometry & MOs

Info

ID:

187135

PubChem CID:

77534557

Reduced:

N5O10C27H45 (1)

Stoich.:

A5B10C27D45 (1)

Weight, g/mol:

599.316643

ΔHf, kcal/mol:

-476.55

Dipole, Da:

7.24

IP(EA), eV:

 -9.9(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[9,9-dimethyl-12-[(2-methylpropan-2-yl)oxycarbonylamino]-5,8,11-trioxo-6-propan-2-yl-1,14-dioxa-4,7,10-triazacyclooctadec-16-ene-2-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCC(OCC=CCOCC(C(=O)NC(C(=O)N1)(C)C)NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)O

DOS

IR

Vibrations