Geometry & MOs

Info

ID:	435007
PubChem CID:	135177111
Reduced:	BrPH6C7 (1)
Stoich.:	ABC6D7 (1)
Weight, g/mol:	806.356317
ΔH_f, kcal/mol:	58.93
Dipole, Da:	1.08
IP(EA), eV:	-9.13(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethylamino]-1-oxobutan-2-yl]butanediamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C=P

DOS

IR

Vibrations