Geometry & MOs

Info

ID:	444077
PubChem CID:	135261282
Reduced:	N2O2Cl3C8H11 (1)
Stoich.:	A2B2C3D8E11 (1)
Weight, g/mol:	355.221954
ΔH_f, kcal/mol:	-96.44
Dipole, Da:	2.14
IP(EA), eV:	-9.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)/C(=C(\C(Cl)(Cl)Cl)/N)/C(=O)N(C)C

DOS

IR

Vibrations