Geometry & MOs

Info

ID:	318620
PubChem CID:	126652338
Reduced:	ClSN3O5H18C20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	597.187793
ΔH_f, kcal/mol:	-129.3
Dipole, Da:	5.28
IP(EA), eV:	-8.53(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,6S,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)O[C@H]1CO[C@H]2[C@@H]1OCC2OC3=C(C=C(C=C3)NC4=NC=NC5=C4SC=C5)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)O[C@H]1CO[C@H]2[C@@H]1OCC2OC3=C(C=C(C=C3)NC4=NC=NC5=C4SC=C5)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):