Geometry & MOs

Info

ID:

298317

PubChem CID:

117648311

Reduced:

S2O4H18C21 (1)

Stoich.:

A2B4C18D21 (1)

Weight, g/mol:

555.271779

ΔHf, kcal/mol:

-81.6

Dipole, Da:

3.96

IP(EA), eV:

 -8.96(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[5-carbamoyl-6-[[6-ethoxy-5-(triazol-1-yl)pyridin-3-yl]amino]-3-fluoropyridin-2-yl]amino]-1-cyclopropylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)SC(=O)C(=C)C)SC(=O)C=C

DOS

IR

Vibrations