Geometry & MOs

Info

ID:

306602

PubChem CID:

125092162

Reduced:

FSCl2N3O4C36H36 (1)

Stoich.:

ABC2D3E4F36G36 (1)

Weight, g/mol:

667.167448

ΔHf, kcal/mol:

-144.47

Dipole, Da:

3.63

IP(EA), eV:

 -9.0(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-butan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=CC=C2F)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)C5=C(C(=CC=C5)Cl)Cl

DOS

IR

Vibrations