Geometry & MOs

Info

ID:

306525

PubChem CID:

125085621

Reduced:

SN3O5C28H41 (1)

Stoich.:

AB3C5D28E41 (1)

Weight, g/mol:

603.149211

ΔHf, kcal/mol:

-211.16

Dipole, Da:

7.14

IP(EA), eV:

 -9.3(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoyl-[(2,4-dichlorophenyl)methyl]amino]butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)N(CCC1=CC=CC=C1)C(=O)CCCN(C2=CC=CC=C2OCC)S(=O)(=O)C

DOS

IR

Vibrations