Geometry & MOs

Info

ID:

306648

PubChem CID:

125093386

Reduced:

SCl3N3O4C28H30 (1)

Stoich.:

AB3C3D4E28F30 (1)

Weight, g/mol:

741.06945

ΔHf, kcal/mol:

-137.92

Dipole, Da:

7.66

IP(EA), eV:

 -9.33(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-[(4-bromophenyl)methyl]amino]-N-[(2R)-butan-2-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations