Geometry & MOs

Info

ID:	298451
PubChem CID:	117649660
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	574.266086
ΔH_f, kcal/mol:	-56.94
Dipole, Da:	3.18
IP(EA), eV:	-8.84(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidin-5-yl]phenyl]ethyl]guanidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[C@@H](C(=O)C(C)C)NC(C)C

DOS

IR

Vibrations