Geometry & MOs

Info

ID:

306617

PubChem CID:

125092587

Reduced:

ClFSN3O5C30H35 (1)

Stoich.:

ABCD3E5F30G35 (1)

Weight, g/mol:

549.266128

ΔHf, kcal/mol:

-207.65

Dipole, Da:

4.07

IP(EA), eV:

 -9.07(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-2-ethylanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations