Geometry & MOs

Info

ID:	275650
PubChem CID:	103816889
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-31.17
Dipole, Da:	2.86
IP(EA), eV:	-9.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](C2=CC=CC=C21)NC(=O)CSC3=CC=NC=C3)O

DOS

IR

Vibrations