Geometry & MOs

Info

ID:	135748
PubChem CID:	51927206
Reduced:	N2O3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	370.144806
ΔH_f, kcal/mol:	-73.62
Dipole, Da:	3.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754493
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC[C@@H](C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)O

DOS

IR

Vibrations