Geometry & MOs

Info

ID:	163247
PubChem CID:	57655016
Reduced:	O2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	852.442178
ΔH_f, kcal/mol:	-93.86
Dipole, Da:	2.97
IP(EA), eV:	-9.33(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxymethyl]-2-methylpropyl] N-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-yl]carbamate

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

CCC(CC(C(C)C(=O)C)C(=O)C)C1=CC=CC=C1

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

CCC(CC(C(C)C(=O)C)C(=O)C)C1=CC=CC=C1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):