Geometry & MOs

Info

ID:

306511

PubChem CID:

125084177

Reduced:

SCl2N3O4C36H39 (1)

Stoich.:

AB2C3D4E36F39 (1)

Weight, g/mol:

553.241056

ΔHf, kcal/mol:

-118.89

Dipole, Da:

8.81

IP(EA), eV:

 -8.91(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=C(C=C2)Cl)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)C4=C(C=C(C=C4)Cl)C

DOS

IR

Vibrations