Geometry & MOs

Info

ID:	219109
PubChem CID:	85090553
Reduced:	N3P3S3C11O11H20 (1)
Stoich.:	A3B3C3D11E11F20 (1)
Weight, g/mol:	559.289365
ΔH_f, kcal/mol:	-661.31
Dipole, Da:	2.85
IP(EA), eV:	-9.35(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-ylethyl N-[1-[(1,2,3,9-tetramethoxy-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)amino]ethoxy]carbamate

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(OP(=O)(O)OP(=O)(O)O)SCCS)O

DOS

IR

Vibrations