Geometry & MOs

Info

ID:

306526

PubChem CID:

125085624

Reduced:

SCl3N3O4C27H36 (1)

Stoich.:

AB3C3D4E27F36 (1)

Weight, g/mol:

575.141233

ΔHf, kcal/mol:

-194.7

Dipole, Da:

0.89

IP(EA), eV:

 -9.21(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations