Geometry & MOs

Info

ID:

435840

PubChem CID:

135192555

Reduced:

N7O9C28H37 (1)

Stoich.:

A7B9C28D37 (1)

Weight, g/mol:

408.148535

ΔHf, kcal/mol:

-361.68

Dipole, Da:

12.78

IP(EA), eV:

 -9.78(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-fluoro-7-(1-hydroxyethyl)-15-methyl-5-oxo-4,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,6,8,10,12,14,16(20)-heptaen-6-yl]methyl formate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NCC(=O)NCOCC(=O)N)NC(=O)CNC(=O)CNC(=O)CCCCCN2C(=O)C=CC2=O

DOS

IR

Vibrations