Geometry & MOs

Info

ID:

335001

PubChem CID:

127253807

Reduced:

N5O6C29H29 (1)

Stoich.:

A5B6C29D29 (1)

Weight, g/mol:

430.164105

ΔHf, kcal/mol:

-34.3

Dipole, Da:

5.86

IP(EA), eV:

 -9.12(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[6-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-7-oxo-2-oxa-6,18-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3(8),4,10,12,14,16-heptaen-9-yl]acetate

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)[C@@H]2CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@H]2C5CC(C4)C6=CC=CC(=O)N6C5)C(=O)C7=CC=CO7

DOS

IR

Vibrations