Geometry & MOs

Info

ID:	176697
PubChem CID:	76083964
Reduced:	N2O2C7H12 (2)
Stoich.:	A2B2C7D12 (2)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-210.21
Dipole, Da:	1.94
IP(EA), eV:	-9.65(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methylsulfanyl-2-(3-phenylpropanoylamino)butanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCC(=O)N1

DOS

IR

Vibrations