Geometry & MOs

Info

ID:

442840

PubChem CID:

135256524

Reduced:

BrOSN2C17H25 (1)

Stoich.:

ABCD2E17F25 (1)

Weight, g/mol:

684.15142

ΔHf, kcal/mol:

-21.04

Dipole, Da:

4.23

IP(EA), eV:

 -8.4(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[14-[[3-(6-bromo-3-chloro-2-fluorophenyl)-3-oxopropyl]amino]-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17(22)-hexaen-5-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)N[C@@H](CC=C)C1=NC2=C(CCCC2)C(=C1)Br

DOS

IR

Vibrations