Geometry & MOs

Info

ID:	431658
PubChem CID:	135171754
Reduced:	ClSO2N4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	362.256943
ΔH_f, kcal/mol:	26.58
Dipole, Da:	6.97
IP(EA), eV:	-8.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-amino-4-[(4-hydroxycyclohexyl)-(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC1COC2=C(C=C(C=N2)NSC3=C(C=CC(=C3)Cl)OC)C4=CC=NN14

DOS

IR

Vibrations