Geometry & MOs

Info

ID:

326804

PubChem CID:

126688231

Reduced:

SN4O5C28H34 (1)

Stoich.:

AB4C5D28E34 (1)

Weight, g/mol:

665.99702

ΔHf, kcal/mol:

-67.54

Dipole, Da:

5.67

IP(EA), eV:

 -9.3(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3S,9S)-15,17-dibromo-16-hydroxy-9-methyl-14-nitro-6-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,13(18),14,16-pentaen-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CC[C@@H]2C/C(=N/OCC=C)/[C@@]3(C2C4CCC5=CC(=C(C=C5C4CC3)[N+](=O)[O-])O)C

DOS

IR

Vibrations