Geometry & MOs

Info

ID:	239948
PubChem CID:	93167220
Reduced:	N2S2O3C27H30 (1)
Stoich.:	A2B2C3D27E30 (1)
Weight, g/mol:	270.169191
ΔH_f, kcal/mol:	-39.38
Dipole, Da:	0.57
IP(EA), eV:	-8.67(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2,4-diamino-4-oxobutanoyl]-N-ethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC[C@H]2C3=C(CCN2C(=O)CN(C4CC4)C(=O)C5=CC=CS5)SC=C3

DOS

IR

Vibrations