Geometry & MOs

Info

ID:

306653

PubChem CID:

125093497

Reduced:

SCl2N3O4C29H33 (1)

Stoich.:

AB2C3D4E29F33 (1)

Weight, g/mol:

505.20467

ΔHf, kcal/mol:

-127.6

Dipole, Da:

6.83

IP(EA), eV:

 -9.09(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-[(2S)-butan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](CC)N(CC1=CC=CC=C1Cl)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations