Geometry & MOs

Info

ID:	149502
PubChem CID:	53789175
Reduced:	O7C23H28 (1)
Stoich.:	A7B23C28 (1)
Weight, g/mol:	457.111457
ΔH_f, kcal/mol:	-290.25
Dipole, Da:	4.29
IP(EA), eV:	-9.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(12-chlorotetracen-5-yl)methylamino]-3-hydroxy-2-methylpropyl] methanesulfonate

Drug info:

PubChemData

Smile

CC1(COC(OC1)C(C=CC2C(CC3C2CC(=O)O3)OC(=O)C4=CC=CC=C4)O)C

DOS

IR

Vibrations