Geometry & MOs

Info

ID:

306622

PubChem CID:

125092664

Reduced:

BrSN3O4C24H32 (1)

Stoich.:

ABC3D4E24F32 (1)

Weight, g/mol:

695.198748

ΔHf, kcal/mol:

-151.47

Dipole, Da:

8.54

IP(EA), eV:

 -8.92(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations