Geometry & MOs

Info

ID:	213886
PubChem CID:	81065517
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-113.15
Dipole, Da:	5.19
IP(EA), eV:	-9.91(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(prop-2-enoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(N=NS1)C(C)(C)C

DOS

IR

Vibrations