Geometry & MOs

Info

ID:	431769
PubChem CID:	135171875
Reduced:	SO3N4C25H36 (1)
Stoich.:	AB3C4D25E36 (1)
Weight, g/mol:	358.262028
ΔH_f, kcal/mol:	-70.7
Dipole, Da:	5.54
IP(EA), eV:	-8.51(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S)-2-[3-amino-4-[cyclohexyl(2-methylpropyl)amino]phenyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NN=C(S3)C4CC4

DOS

IR

Vibrations