Geometry & MOs

Info

ID:	315741
PubChem CID:	126628652
Reduced:	Cl2N4O6C19H30 (1)
Stoich.:	A2B4C6D19E30 (1)
Weight, g/mol:	400.232185
ΔH_f, kcal/mol:	-276.96
Dipole, Da:	2.86
IP(EA), eV:	-9.38(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)N1CCCC(N1)C(=O)OCC(O)(Cl)Cl)NC(=O)CC=C

DOS

IR

Vibrations