Geometry & MOs

Info

ID:

54104

PubChem CID:

14720158

Reduced:

FN2O3C21H31 (2)

Stoich.:

AB2C3D21E31 (2)

Weight, g/mol:

631.281755

ΔHf, kcal/mol:

-415.58

Dipole, Da:

8.9

IP(EA), eV:

 -9.32(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-(5-acetamido-2-benzamido-4,4-difluoro-3-oxopentyl)phenyl]-N-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(CCCC1=CC=CC=C1)C(=O)NCC(C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)(F)F

DOS

IR

Vibrations