Geometry & MOs

Info

ID:

164373

PubChem CID:

74391693

Reduced:

N5O6C20H37 (1)

Stoich.:

A5B6C20D37 (1)

Weight, g/mol:

768.272353

ΔHf, kcal/mol:

-314.27

Dipole, Da:

3.05

IP(EA), eV:

 -9.98(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[tert-butyl-[2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)oxypyrrolidine-1-carbonyl]amino]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(C(C)C)NC(=O)CNC(=O)CN

DOS

IR

Vibrations