Geometry & MOs

Info

ID:

306475

PubChem CID:

125081926

Reduced:

FSCl2N3O4C29H32 (1)

Stoich.:

ABC2D3E4F29G32 (1)

Weight, g/mol:

607.147461

ΔHf, kcal/mol:

-174.49

Dipole, Da:

5.27

IP(EA), eV:

 -9.33(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations