Geometry & MOs

Info

ID:	436370
PubChem CID:	135199426
Reduced:	N2O5C23H30 (1)
Stoich.:	A2B5C23D30 (1)
Weight, g/mol:	393.251523
ΔH_f, kcal/mol:	-198.23
Dipole, Da:	1.16
IP(EA), eV:	-9.13(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-(2-methoxy-4-methylphenyl)-4-methylpentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H]([C@H](C)OC(=O)[C@H](C)NC(=O)C2=NC=CC(=C2O)OC)C(C)C

DOS

IR

Vibrations