Geometry & MOs

Info

ID:

379220

PubChem CID:

134356817

Reduced:

BrSF2N5O7C33H44 (1)

Stoich.:

ABC2D5E7F33G44 (1)

Weight, g/mol:

963.240639

ΔHf, kcal/mol:

-359.91

Dipole, Da:

7.35

IP(EA), eV:

 -9.22(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[[2-(azepan-1-yl)-2-oxoethyl]-(2,5-dimethoxyphenyl)sulfamoyl]phenyl]pyridin-3-yl]-2-[N-(4-methoxyphenyl)sulfonyl-2,5-bis(trifluoromethyl)anilino]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NC(CCCCN)C(=O)CS(=O)(=O)CC2=NC(=C(C=C2)C(=O)NC(CCCCN)C(=O)COC3=C(C=CC=C3F)F)Br

DOS

IR

Vibrations