Geometry & MOs

Info

ID:	176022
PubChem CID:	75982810
Reduced:	FNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	1044.294877
ΔH_f, kcal/mol:	-149.08
Dipole, Da:	2.67
IP(EA), eV:	-9.69(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[6-[[1-[2-[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]oxyethyl]-2,5-dioxopyrrolidin-3-yl]amino]hexylamino]-2,5-dioxopyrrolidin-1-yl]ethyl 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate;dihydrochloride

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

COC(=O)C1=CC(=CC(=C1)C2CC(=O)CCN2)F

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

COC(=O)C1=CC(=CC(=C1)C2CC(=O)CCN2)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):