Geometry & MOs

Info

ID:

306536

PubChem CID:

125086009

Reduced:

FSCl2N3O4H34C35 (1)

Stoich.:

ABC2D3E4F34G35 (1)

Weight, g/mol:

631.251621

ΔHf, kcal/mol:

-137.82

Dipole, Da:

5.67

IP(EA), eV:

 -9.02(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-3-methoxyanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-tert-butyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@@H](CC2=CC=CC=C2)N(CC3=C(C=C(C=C3)Cl)Cl)C(=O)CN(C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations