Geometry & MOs

Info

ID:	132666
PubChem CID:	51396472
Reduced:	SO2N5C27H45 (1)
Stoich.:	AB2C5D27E45 (1)
Weight, g/mol:	378.215472
ΔH_f, kcal/mol:	-100.72
Dipole, Da:	8.33
IP(EA), eV:	-8.7(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2S)-2-hydroxy-3-[[(2R)-1-hydroxybutan-2-yl]amino]propoxy]-1,2-dimethylindole-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)C1CCC(CC1)N2C(=O)C3CCCCC3N4C2=NN=C4SCC(=O)N(C(C)C)C(C)C

DOS

IR

Vibrations