Geometry & MOs

Info

ID:	341850
PubChem CID:	127264543
Reduced:	N4O5C32H34 (1)
Stoich.:	A4B5C32D34 (1)
Weight, g/mol:	345.215138
ΔH_f, kcal/mol:	-132.42
Dipole, Da:	9.31
IP(EA), eV:	-9.23(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)N[C@@H](CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations