Geometry & MOs

Info

ID:	305358
PubChem CID:	124772079
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-71.43
Dipole, Da:	6.49
IP(EA), eV:	-8.56(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC(=CC=C3)N4C(=O)[C@@H]5CC=CC[C@H]5C4=O

DOS

IR

Vibrations