Geometry & MOs

Info

ID:	148887
PubChem CID:	53788557
Reduced:	S2N4O11H30C33 (1)
Stoich.:	A2B4C11D30E33 (1)
Weight, g/mol:	393.19738
ΔH_f, kcal/mol:	-303.57
Dipole, Da:	7.88
IP(EA), eV:	-8.08(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(N-(2-hexanoylsulfanylacetyl)-2,3,6-trimethylanilino)propanoate

Drug info:

PubChemData

Smile

CCC1(NC2=CC=CC3=C2C(=N1)C=CC3=C4C(=C(C(=O)C4=O)C5=C6C=CC=C7C6=C(C=C5)NC(N7)(COS(=O)(=O)O)COS(=O)(=O)O)O)CC

DOS

IR

Vibrations