Geometry & MOs

Info

ID:

306582

PubChem CID:

125089239

Reduced:

FSN3O4C30H36 (1)

Stoich.:

ABC3D4E30F36 (1)

Weight, g/mol:

595.271607

ΔHf, kcal/mol:

-174.71

Dipole, Da:

8.52

IP(EA), eV:

 -8.91(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations