Geometry & MOs

Info

ID:

193117

PubChem CID:

78346492

Reduced:

SF2O3N6H22C23 (1)

Stoich.:

AB2C3D6E22F23 (1)

Weight, g/mol:

542.198378

ΔHf, kcal/mol:

-146.99

Dipole, Da:

3.04

IP(EA), eV:

 -9.08(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-N-[2-[(4-fluorophenyl)methyl-[(4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)F)F)CC4CC(=O)NC(=O)N4

DOS

IR

Vibrations