Geometry & MOs

Info

ID:

164189

PubChem CID:

74382238

Reduced:

N7O8C46H61 (1)

Stoich.:

A7B8C46D61 (1)

Weight, g/mol:

547.239496

ΔHf, kcal/mol:

-297.29

Dipole, Da:

4.5

IP(EA), eV:

 -8.88(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[5-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]pyridin-2-yl]pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2CC(CN2C(=O)NC(C(=O)NC(C3CCCCC3)C(=O)NC)C(C)(C)C)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6

DOS

IR

Vibrations