Geometry & MOs

Info

ID:	448919
PubChem CID:	135294498
Reduced:	SN2O2C21H32 (1)
Stoich.:	AB2C2D21E32 (1)
Weight, g/mol:	394.195796
ΔH_f, kcal/mol:	-88.75
Dipole, Da:	4.4
IP(EA), eV:	-8.63(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(Z)-2-[(3E,5Z)-6-amino-5-chlorohepta-1,3,5-trien-4-yl]sulfanyl-1-[(Z)-propylideneamino]ethenyl]-7-azaspiro[3.5]nonan-3-amine

Drug info:

PubChemData

Smile

CC1CC2CCC(C1)N2CC[C@@H](C3=CC=CS3)NC(=O)C4CCOCC4

DOS

IR

Vibrations