Geometry & MOs

Info

ID:

306593

PubChem CID:

125089695

Reduced:

SN3O4C37H43 (1)

Stoich.:

AB3C4D37E43 (1)

Weight, g/mol:

613.16099

ΔHf, kcal/mol:

-110.71

Dipole, Da:

6.5

IP(EA), eV:

 -8.94(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]-[(3-bromophenyl)methyl]amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=CC=C2C)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)C4=CC=CC(=C4)C

DOS

IR

Vibrations