Geometry & MOs

Info

ID:	203264
PubChem CID:	79804026
Reduced:	SN2O3C10H18 (1)
Stoich.:	AB2C3D10E18 (1)
Weight, g/mol:	271.189592
ΔH_f, kcal/mol:	-148.09
Dipole, Da:	5.46
IP(EA), eV:	-9.15(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NC(=O)C1CSCN1

DOS

IR

Vibrations