Geometry & MOs

Info

ID:

306609

PubChem CID:

125092342

Reduced:

SCl3N3O7C31H36 (1)

Stoich.:

AB3C3D7E31F36 (1)

Weight, g/mol:

535.250478

ΔHf, kcal/mol:

-246.49

Dipole, Da:

5.49

IP(EA), eV:

 -8.72(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-tert-butylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)N(CC1=CC(=C(C=C1)Cl)Cl)C(=O)CN(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations