Geometry & MOs

Info

ID:	231374
PubChem CID:	87573575
Reduced:	ClO2N9C27H36 (1)
Stoich.:	AB2C9D27E36 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-9.45
Dipole, Da:	11.47
IP(EA), eV:	-9.29(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[5-amino-2-(3-aminophenyl)phenoxy] ethanethioate

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)NC1CCC(CC1)NC2=NN3C(=CN=C3C(=C2)NC4CC4)C(=O)NC5=CC(=NC=C5)Cl)N

DOS

IR

Vibrations