Geometry & MOs

Info

ID:

306654

PubChem CID:

125093510

Reduced:

FSN3O5C25H32 (1)

Stoich.:

ABC3D5E25F32 (1)

Weight, g/mol:

691.105295

ΔHf, kcal/mol:

-233.34

Dipole, Da:

2.4

IP(EA), eV:

 -9.15(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](C)N(CC1=CC=C(C=C1)F)C(=O)CN(C2=CC=CC(=C2)C(=O)C)S(=O)(=O)C

DOS

IR

Vibrations