Geometry & MOs

Info

ID:	188236
PubChem CID:	77686861
Reduced:	SN2O3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	420.181585
ΔH_f, kcal/mol:	-76.83
Dipole, Da:	4.04
IP(EA), eV:	-9.33(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-hydroxy-4-[4-(methylamino)butyl]benzoyl]amino]-3-phenylpropanoate;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC=C2N=C1C3=CC=CS3)C(C4CCCCC4)C(=O)N)C(=O)O

DOS

IR

Vibrations