Geometry & MOs

Info

ID:	150853
PubChem CID:	53790550
Reduced:	O7N8C43H62 (1)
Stoich.:	A7B8C43D62 (1)
Weight, g/mol:	291.160762
ΔH_f, kcal/mol:	-312.61
Dipole, Da:	3.12
IP(EA), eV:	-9.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-butoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-tritiobutanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC1=CN=CC=C1)NC(=O)CC(C(CC2CCCCC2)NC(=O)C(CC3=CN=CN3)NC(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations