Geometry & MOs

Info

ID:

325860

PubChem CID:

126685325

Reduced:

ClFSO2N4C29H36 (1)

Stoich.:

ABCD2E4F29G36 (1)

Weight, g/mol:

636.218462

ΔHf, kcal/mol:

17.45

Dipole, Da:

2.63

IP(EA), eV:

 -8.5(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1S)-1-[4-(4-chlorophenyl)oxan-4-yl]-2-[2-[2-[(9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluoroanilino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)Cl)[C@@H](C(=O)NC2=C(C(=CC=C2)F)CCC3CNC4CCCS(=O)N3CC#C4)N

DOS

IR

Vibrations