Geometry & MOs

Info

ID:	437895
PubChem CID:	135227234
Reduced:	N2O2C16H27 (2)
Stoich.:	A2B2C16D27 (2)
Weight, g/mol:	670.248623
ΔH_f, kcal/mol:	-218.89
Dipole, Da:	6.27
IP(EA), eV:	-8.7(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[N-(3,5-dimethoxy-2-methylphenyl)-N'-methylcarbamimidoyl]-2,3,6-trimethylphenoxy]ethyl 3-(2,3-dinitrooxypropoxy)benzoate

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

CC1([C@@]2(C13CCC3)CC(N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=C)OC(C)(C)C)C(=O)N)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

CC1([C@@]2(C13CCC3)CC(N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=C)OC(C)(C)C)C(=O)N)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):