Geometry & MOs

Info

ID:	201391
PubChem CID:	79532807
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	314.99286
ΔH_f, kcal/mol:	-77.04
Dipole, Da:	6.4
IP(EA), eV:	-9.34(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-amino-5-bromophenyl)sulfanyl-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

C1CC(CCC1CNCCCN2C=CN=C2)C(=O)O

DOS

IR

Vibrations