Geometry & MOs

Info

ID:

306647

PubChem CID:

125093333

Reduced:

ClFSN3O4C30H33 (1)

Stoich.:

ABCD3E4F30G33 (1)

Weight, g/mol:

609.102261

ΔHf, kcal/mol:

-180.0

Dipole, Da:

6.26

IP(EA), eV:

 -9.32(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]-[(3-chlorophenyl)methyl]amino]-N-[(2S)-butan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC(=CC=C2)Cl)[C@H](C)C(=O)NC3CCCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations