Geometry & MOs

Info

ID:	149522
PubChem CID:	53789195
Reduced:	S3O5N9C19H21 (1)
Stoich.:	A3B5C9D19E21 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-13.24
Dipole, Da:	6.16
IP(EA), eV:	-8.92(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-amino-2-methoxy-3,4-dimethylphenyl)-4-methylhex-4-enoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)ON=C(C2=CSC(=N2)N)C(=O)NC3[C@H]4N(C3=O)C(=C(CS4)CSC5=NNN=N5)C(=O)O

DOS

IR

Vibrations