Geometry & MOs

Info

ID:

164315

PubChem CID:

74382830

Reduced:

FO5N11C32H40 (1)

Stoich.:

AB5C11D32E40 (1)

Weight, g/mol:

669.229091

ΔHf, kcal/mol:

-168.21

Dipole, Da:

8.94

IP(EA), eV:

 -8.6(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(cyclopropylsulfonylcarbamoyl)-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-en-17-yl] N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate

Drug info:

PubChemData

Smile

C1C=CC(N1C(=O)C(CC2=CC=C(C=C2)F)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC3=CNC4=C3C=CC=N4)C(=O)N

DOS

IR

Vibrations