Geometry & MOs

Info

ID:

306585

PubChem CID:

125089258

Reduced:

BrSN3O5C31H38 (1)

Stoich.:

ABC3D5E31F38 (1)

Weight, g/mol:

567.14025

ΔHf, kcal/mol:

-164.36

Dipole, Da:

7.06

IP(EA), eV:

 -8.6(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2R)-butan-2-yl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations