Geometry & MOs

Info

ID:	440615
PubChem CID:	135230629
Reduced:	O3N7C27H37 (1)
Stoich.:	A3B7C27D37 (1)
Weight, g/mol:	605.292594
ΔH_f, kcal/mol:	-10.78
Dipole, Da:	5.62
IP(EA), eV:	-8.69(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-[2-[2-(dimethylamino)ethyl]pyridin-4-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

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

C[C@H]1[C@@H](CN(O1)CCOC)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CC(=NC=C4)CCN(C)C)C

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

C[C@H]1[C@@H](CN(O1)CCOC)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CC(=NC=C4)CCN(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):