Geometry & MOs

Info

ID:	189181
PubChem CID:	77825733
Reduced:	ClSN2O5C26H29 (1)
Stoich.:	ABC2D5E26F29 (1)
Weight, g/mol:	435.182792
ΔH_f, kcal/mol:	-183.31
Dipole, Da:	2.8
IP(EA), eV:	-8.4(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,3-dihydrothiophene-2-carbonylamino)propyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(C(C(=O)NCC2CC=C(S2)CC3=CC=CC=C3O)O)O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations