Geometry & MOs

Info

ID:

297749

PubChem CID:

117629020

Reduced:

BrN5H14C16 (1)

Stoich.:

AB5C14D16 (1)

Weight, g/mol:

718.210662

ΔHf, kcal/mol:

107.38

Dipole, Da:

8.32

IP(EA), eV:

 -8.66(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[(1S)-1-[5-[(1R)-1-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-2-hydroxyethyl]thiophen-2-yl]-2,2,2-trifluoroethyl]carbamate

Drug info:

PubChemData

Smile

C1C=CC(=NC2=NC=NC(=C2)NC3=CC(=CC=C3)Br)C=C1N

DOS

IR

Vibrations