Geometry & MOs

Info

ID:

446815

PubChem CID:

135277927

Reduced:

SO3F6N7H27C40 (1)

Stoich.:

AB3C6D7E27F40 (1)

Weight, g/mol:

479.0856

ΔHf, kcal/mol:

-196.8

Dipole, Da:

6.57

IP(EA), eV:

 -8.7(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[5-[(5-bromo-2-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)NC2=NN(C3=C2C=C(C=C3)C4=NC(=CS4)C(=O)NC5=NN(C6=CC=CC=C65)CC7=CC=C(C=C7)C(F)(F)F)CC8=CC=C(C=C8)C(F)(F)F

DOS

IR

Vibrations