Geometry & MOs

Info

ID:

185414

PubChem CID:

77298165

Reduced:

ClSN3O3F4H18C24 (1)

Stoich.:

ABC3D3E4F18G24 (1)

Weight, g/mol:

561.229742

ΔHf, kcal/mol:

-223.77

Dipole, Da:

6.85

IP(EA), eV:

 -8.84(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[9-butoxy-4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)C3C4=C(C(=CC=C4)F)SCC5=C3C=CC(=C5)Cl

DOS

IR

Vibrations