Geometry & MOs

Info

ID:	173373
PubChem CID:	75630410
Reduced:	ClN4O5C23H35 (1)
Stoich.:	AB4C5D23E35 (1)
Weight, g/mol:	189.08235
ΔH_f, kcal/mol:	-256.19
Dipole, Da:	4.99
IP(EA), eV:	-9.12(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2-methylbut-3-en-2-ylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)N(C1CCCNC1)C(=O)C2=CC3=C(C=C2)OC(C(=O)N3CCNC(=O)OC)(C)C.Cl

DOS

IR

Vibrations