Geometry & MOs

Info

ID:

434944

PubChem CID:

135176042

Reduced:

O2N3C18H37 (1)

Stoich.:

A2B3C18D37 (1)

Weight, g/mol:

523.178646

ΔHf, kcal/mol:

-161.98

Dipole, Da:

2.91

IP(EA), eV:

 -9.62(1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-16-chloro-13-fluoro-7-methyl-19-(4-prop-2-enoylpiperazin-1-yl)-8-oxa-1,20,23-triazapentacyclo[13.6.2.02,7.09,14.018,22]tricosa-9(14),10,12,15,17,19,22-heptaen-21-one

Drug info:

PubChemData

Smile

CC(C)(C)CC(C(=O)NCCCCCNC(=O)CN)C(C)(C)C

DOS

IR

Vibrations