Geometry & MOs

Info

ID:	329361
PubChem CID:	126735417
Reduced:	PO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	1028.560955
ΔH_f, kcal/mol:	-104.45
Dipole, Da:	5.91
IP(EA), eV:	-9.09(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6S)-4-[5-[6-[5-[2-[[[anilino(hydroxy)methyl]amino]methyl]-6-[3-[6-ethyl-2-(2-hydroxyphenyl)-1,3-dioxan-4-yl]propyl]-1,3-dioxan-4-yl]-4-hydroxypentyl]-2-(2-hydroxyphenyl)-1,3-dioxan-4-yl]-2-hydroxypentyl]-6-methyl-1,3-dioxan-2-yl]phenol

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(=C)C(=O)CP(C)CCOOC(=O)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

CC(=C)C(=O)CP(C)CCOOC(=O)C(=C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):