Geometry & MOs

Info

ID:	316148
PubChem CID:	126630210
Reduced:	NO2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	553.290034
ΔH_f, kcal/mol:	-190.51
Dipole, Da:	2.38
IP(EA), eV:	-9.55(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[7-[(E)-prop-1-enyl]quinolin-2-yl]ethyl] (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-hydroxypropanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC)NC(=O)C(C)(C)COC(=N)C=C(C)C

DOS

IR

Vibrations