Geometry & MOs

Info

ID:

436577

PubChem CID:

135205588

Reduced:

F3N4O5C29H31 (1)

Stoich.:

A3B4C5D29E31 (1)

Weight, g/mol:

536.120207

ΔHf, kcal/mol:

-302.95

Dipole, Da:

3.66

IP(EA), eV:

 -8.97(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10S)-10-[6-[(5-cyanopyridine-2-carbonyl)amino]-3-fluoropyridin-2-yl]-10-(difluoromethyl)-1-oxo-1lambda6-thia-2,7,9-triazabicyclo[5.4.0]undeca-1,8-dien-8-yl]carbamic acid

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC2=C(C=C1)[C@@]3(C(=O)C2)C(=O)N(CO3)CC(=O)N(CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)C5CC5

DOS

IR

Vibrations