Geometry & MOs

Info

ID:	405511
PubChem CID:	135074278
Reduced:	O5C13H20 (1)
Stoich.:	A5B13C20 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-226.83
Dipole, Da:	5.06
IP(EA), eV:	-9.61(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-pyrimidin-2-ylindol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC1C[C@@H](C(=CO1)C(=O)OC)CC=O

DOS

IR

Vibrations