Geometry & MOs

Info

ID:	232661
PubChem CID:	87576658
Reduced:	ClO4N5C17H18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	196.051778
ΔH_f, kcal/mol:	-111.07
Dipole, Da:	8.21
IP(EA), eV:	-9.23(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethylsulfonyl (2S)-2-aminopropanoate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2CC(=C(C3=C2N=C(N=C3Cl)N)O)C(=O)O

DOS

IR

Vibrations