Geometry & MOs

Info

ID:	44286
PubChem CID:	10502511
Reduced:	NSO2C26H35 (1)
Stoich.:	ABC2D26E35 (1)
Weight, g/mol:	426.00144
ΔH_f, kcal/mol:	-94.6
Dipole, Da:	2.5
IP(EA), eV:	-8.55(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[bis(2-chloroethyl)amino-(furan-2-ylmethoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@H]4SC5=CC=CC=N5)C)C

DOS

IR

Vibrations